SCHEMBL1627680

SCHEMBL1627680

CCCCCCCCC=CCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.71
CYP2C19 P33261 2/20 0.57
TERT O14746 3/20 0.56
PTPN1 P18031 3/20 0.56
PPARG P37231 3/20 0.56
PPARD Q03181 3/20 0.56
PPARA Q07869 3/20 0.56
TOP1 P11387 3/20 0.56
MAPT P10636 2/20 0.56
BLM P54132 2/20 0.56
HSD17B10 Q99714 2/20 0.56
FABP4 P15090 2/20 0.56
DUSP3 P51452 2/20 0.56
F7 P08709 2/20 0.56
F3 P13726 2/20 0.56
GMNN O75496 1/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL1627678 1.00 EPHX2 (0.71) EPHX2CYP2C19TERTPTPN1PPARG
SCHEMBL1627823 1.00 EPHX2 (0.71) EPHX2CYP2C19TERTPTPN1PPARG
SCHEMBL29576405 1.00 EPHX2 (0.71) EPHX2CYP2C19TERTPTPN1PPARG
SCHEMBL1627821 1.00 EPHX2 (0.71) EPHX2CYP2C19TERTPTPN1PPARG
SCHEMBL19429651 0.93 EPHX2 (0.70) EPHX2CYP2C19TERTPTPN1PPARG
SCHEMBL6293226 0.92 EPHX2 (0.69) EPHX2CYP2C19PPARGPPARDPPARA
SCHEMBL6293227 0.92 EPHX2 (0.69) EPHX2CYP2C19PPARGPPARDPPARA
SCHEMBL6923085 0.92 EPHX2 (0.69) EPHX2CYP2C19PPARGPPARDPPARA
SCHEMBL7716340 0.90 EPHX2 (0.71) EPHX2PPARGPPARDPPARAMAPT
SCHEMBL6928120 0.90 EPHX2 (0.71) EPHX2PPARGPPARDPPARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110093246-A1 Modeling Systems for Consumer Goods STANTON DAVID THOMAS 2011-04-21 US disclosed
EP-2013826-A2 MODELING SYSTEMS FOR CONSUMER GOODS The Procter and Gamble Company (US) 2009-01-14 EP disclosed
US-20080040082-A1 Modeling systems for consumer goods THE PROCTER & GAMBLE COMPANY 2008-02-14 US disclosed
US-20080027575-A1 Modeling systems for health and beauty consumer goods PROCTER & GAMBLE COMPANY, THE 2008-01-31 US disclosed
WO-2007122582-A2 MODELING SYSTEMS FOR CONSUMER GOODS THE PROCTER & GAMBLE COMPANY (US) 2007-11-01 WO disclosed