SCHEMBL5796472

SCHEMBL5796472

CCCCC(CC)CSOC(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.47
▸ TSHR P16473 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CA2 P00918 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ RECQL P46063 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA1 P00915 2/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NAAA Q02083 1/20 0.35

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
SCHEMBL28902972 0.85 F7 (0.40) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL22802263 0.84 CYP3A4 (0.45) CYP3A4TSHRTDP1ATMCA2
SCHEMBL7758011 0.77 PRSS1 (0.44) CYP3A4TSHRTDP1ATMCA2
SCHEMBL27985761 0.75 ALDH1A1 (0.48) CYP3A4TSHRTDP1ATMCA2
SCHEMBL1155390 0.73 CYP3A4 (0.77) CYP3A4TSHRTDP1ATMCA2
SCHEMBL3463068 0.72 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMCA2
SCHEMBL5081942 0.72 RECQL (0.43) CYP3A4TSHRTDP1ATMCA2
Phosphoric Acid SCHEMBL15366758 0.72 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMCA2
SCHEMBL27396150 0.72 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28399409 0.71 NAAA (0.55) CYP3A4TSHRTDP1ATMCA2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006052951-A1 INK JET IMAGE RECORDING MEDIUM 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-18 — — WO disclosed
EP-1023398-B1 STABLE WATERBORNE POLYMER COMPOSITIONS CONTAINING POLY(ALKYLENEIMINES) EASTMAN CHEM CO (US) 2002-12-18 — — EP disclosed
EP-1023402-B1 STABLE LOW FOAM WATERBORNE POLYMER COMPOSITIONS CONTAINING POLY(ALKYLENEIMINES) EASTMAN CHEM CO (US) 2002-11-20 — — EP disclosed
EP-1023398-A1 STABLE WATERBORNE POLYMER COMPOSITIONS CONTAINING POLY(ALKYLENEIMINES) EASTMAN CHEMICAL COMPANY (US) 2000-08-02 — — EP disclosed
EP-1023402-A1 STABLE LOW FOAM WATERBORNE POLYMER COMPOSITIONS CONTAINING POLY(ALKYLENEIMINES) EASTMAN CHEMICAL COMPANY (US) 2000-08-02 — — EP disclosed
US-6005035-A NONIONIC SURFACTANTS WITH HYDROPHILIC-LIPOPHILIC BALANCE EASTMAN CHEMICAL COMPANY (US) 1999-12-21 — — US disclosed
US-5990224-A CURABLE COATINGS OBTAINED BY POLYMERIZATION OF AN UNSATURATED MONOMER HAVING AN ACETOACETOXY GROUP IN THE PRESENCE OF A PHOSPHATE-CONTAINING SURFACTANT AND POLYAMINE; GELATION INHIBITION; PROTECTIVE COATINGS AND SEALS; PAINTS, INKS, EASTMAN CHEMICAL COMPANY (US) 1999-11-23 — — US disclosed
WO-1999014275-A1 STABLE WATERBORNE POLYMER COMPOSITIONS CONTAINING POLY(ALKYLENEIMINES) EASTMAN CHEMICAL COMPANY (US) 1999-03-25 — — WO disclosed
WO-1999014279-A1 STABLE LOW FOAM WATERBORNE POLYMER COMPOSITIONS CONTAINING POLY(ALKYLENEIMINES) EASTMAN CHEMICAL COMPANY (US) 1999-03-25 — — WO disclosed
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