SCHEMBL125690

SCHEMBL125690

O=C(O)C1(CC2(C(=O)O)CCCCC2)CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.65
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
CACNA2D1 P54289 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MME P08473 4/20 0.38
TBXAS1 P24557 2/20 0.38
FFAR3 O14843 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CPB2 Q96IY4 2/20 0.31
HSD11B1 P28845 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9342816 1.00 CYP2C19 (0.65) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL2320124 0.97 CYP2C19 (0.61) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL9180415 0.83 CYP2C19 (0.65) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL9183557 0.83 CYP2C19 (0.65) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL18235 0.81 CYP2C19 (0.62) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL9183856 0.80 CYP2C19 (0.61) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL9640977 0.79 CYP2C19 (0.60) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL2230229 0.79 CYP2C19 (1.00) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL9183939 0.79 CYP2C19 (0.60) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL14049433 0.79 CYP2C19 (0.60) CYP2C19USP2ALDH1A1LMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654116-A1 GARMENT MADE FROM COMPOSITE FABRIC FOR WEATHER PROTECTION INVISTA Technologies S.à.r.l. (CH) 2006-05-10 EP claimed
WO-2005007401-A1 GARMENT MADE FROM COMPOSITE FABRIC FOR WEATHER PROTECTION INVISTA TECHNOLOGIES S.À R.L. (US) 2005-01-27 WO claimed
CN-113227203-B Resin composition, molded article, method for producing molded article, and antioxidant 三菱瓦斯化学株式会社 2022-04-15 CN disclosed
EP-2576692-A2 THERMOPLASTIC POLYESTER ELASTOMER COMPOSITIONS E.I. Du Pont De Nemours And Company (US) 2013-04-10 EP disclosed
EP-2544565-A1 BRUSH FILAMENTS PREPARED FROM A POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION AND BRUSHES COMPRISING THE SAME E.I. Du Pont De Nemours And Company (US) 2013-01-16 EP disclosed
WO-2012119057-A1 LOW SMOKE HALOGEN FREE FLAME RETARDANT THERMOPLASTIC ELASTOMER COMPOSITIONS CONTAINING ZEOLITES E. I. DUPONT DE NEMOURS AND COMPANY (US) 2012-09-07 WO disclosed
WO-2012119067-A1 LOW SMOKE HALOGEN FREE FLAME RETARDANT THERMOPLASTIC VULCANIZATE COMPOSITIONS CONTAINING ZEOLITES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-09-07 WO disclosed
WO-2012088250-A1 BRUSH FILAMENTS PREPARED FROM A POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION AND BRUSHES COMPRISING THE SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
EP-1440191-B1 POLYETHER ESTER ELASTOMER COMPRISING POLYTRIMETHYLENE ETHER ESTER SOFT SEGMENT AND TRIMETHYLENE ESTER HARD SEGMENT DU PONT (US) 2012-03-14 EP disclosed
EP-1871820-B1 POLYETHERESTER ELASTOMER AND COMPOSITIONS THEREOF DU PONT (US) 2012-03-07 EP disclosed
WO-2011150303-A2 THERMOPLASTIC POLYESTER ELASTOMER COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-12-01 WO disclosed
US-6599625-B2 Segments with short and long polyether linkages; fibers with superior strength and stretch recovery E. I. DU PONT DE NEMOURS AND COMPANY 2003-07-29 US disclosed
US-20030120026-A1 POLYETHER ESTER ELASTOMER COMPRISING POLYTRIMETHYLENE ETHER ESTER SOFT SEGMENT AND TRIMETHYLENE ESTER HARD SEGMENT DUPONT INDUSTRIAL BIOSCIENCES USA, LLC 2003-06-26 US disclosed
US-6562457-B1 Polyether ester elastomer comprising polytrimethylene ether ester soft segment and tetramethylene ester hard segment E. I. DU PONT DE NEMOURS AND COMPANY 2003-05-13 US disclosed
WO-2003037978-A2 POLYETHER ESTER ELASTOMER COMPRISING POLYTRIMETHYLENE ETHER ESTER SOFT SEGMENT AND TETRAMETHYLENE ESTER HARD SEGMENT E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-05-08 WO disclosed
WO-2003038167-A1 POLYETHER ESTER ELASTOMER COMPRISING POLYTRIMETHYLENE ETHER ESTER SOFT SEGMENT AND TRIMETHYLENE ESTER HARD SEGMENT E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-05-08 WO disclosed
WO-2002082913-A1 SMOKABLE FILMS COMPRISING A POLYAMIDE AND A COPOLYESTER ELASTOMER E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-10-24 WO disclosed
EP-1232033-A2 LAMINATE STRUCTURE USEFUL AS LIQUID IMPERMEABLE MOISTURE VAPOR PERMEABLE MEMBRANE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-08-21 EP disclosed
WO-2001023125-A2 LAMINATE STRUCTURE USEFUL AS LIQUID IMPERMEABLE MOISTURE VAPOR PERMEABLE MEMBRANE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-04-05 WO disclosed
EP-0501439-A1 Electrolyte for electrolytic capacitor and electrolytic capacitor using the same MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-09-02 EP disclosed