SCHEMBL6018743

SCHEMBL6018743

C=C(C)C(=O)OCCO.C=CC(=O)OC1CC2CCC1(C)C2(C)C.C=CC(=O)OCCCCO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ELANE P08246 2/20 0.39
CYP19A1 P11511 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
SCHEMBL6019118 0.99 CYP2C19 (0.40) CYP2C19LMNAHTTMAPTNPSR1
Ethylene Glycol SCHEMBL22654545 0.89 CYP2C19 (0.45) CYP2C19LMNAMAPTKDM4EKMT2A
SCHEMBL1421114 0.89 CYP2C19 (0.43) CYP2C19LMNAMAPTKMT2AELANE
SCHEMBL481232 0.89 CYP2C19 (0.38) CYP2C19LMNAHTTMAPTNPSR1
SCHEMBL3441077 0.88 LMNA (0.43) CYP2C19LMNAHTTMAPTNPSR1
SCHEMBL23855038 0.87 LMNA (0.52) CYP2C19LMNAHTTMAPTNPSR1
SCHEMBL8777327 0.87 LMNA (0.52) CYP2C19LMNAHTTMAPTNPSR1
Methacrylic Acid SCHEMBL7080056 0.87 LMNA (0.49) CYP2C19LMNAHTTMAPTNPSR1
SCHEMBL28300304 0.87 LMNA (0.45) LMNAHTTMAPTNPSR1KDM4E
Acrylic Acid Ethyl Ester SCHEMBL11150751 0.87 KDM4E (0.44) CYP2C19LMNAKDM4EKMT2AELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148310-B2 Multiple component coating composition utilizing dilution stable polyisocyanates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-12-12 US disclosed
WO-2005037936-A2 MULTIPLE COMPONENT COATING COMPOSITION UTILIZING DILUTION STABLE POLYISOCYANATES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-04-28 WO disclosed
US-20050085614-A1 Multiple component coating composition utilizing dilution stable polyisocyanates AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2005-04-21 US disclosed