SCHEMBL7616018

SCHEMBL7616018

COP(=O)(CC(=O)C(C)(C)Oc1ccc(Cl)cc1)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.55
CYP1A2 P05177 4/20 0.55
CYP3A4 P08684 4/20 0.55
MAPT P10636 4/20 0.55
CYP2C19 P33261 3/20 0.55
MEN1 O00255 2/20 0.55
CYP2D6 P10635 2/20 0.55
KMT2A Q03164 2/20 0.55
ABCB11 O95342 2/20 0.52
TSHR P16473 2/20 0.52
HTR2A P28223 2/20 0.52
PMP22 Q01453 2/20 0.52
PPARG P37231 5/20 0.49
FABP2 P12104 2/20 0.49
SLC22A12 Q96S37 1/20 0.49
ALDH1A1 P00352 6/20 0.44
PPARD Q03181 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP2C9 P11712 2/20 0.44

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
SCHEMBL11516039 0.96 PPARA (0.51) PPARACYP1A2CYP3A4MAPTCYP2C19
SCHEMBL7616014 0.89 PPARA (0.53) PPARACYP1A2CYP3A4MAPTCYP2C19
SCHEMBL8340626 0.85 PPARA (0.58) PPARACYP1A2CYP3A4MAPTCYP2C19
SCHEMBL9255616 0.85 PPARG (0.43) PPARACYP1A2CYP3A4MAPTCYP2C19
SCHEMBL11369656 0.81 SMN1; SMN2 (0.42) CYP1A2MAPTCYP2C19MEN1KMT2A
SCHEMBL14541729 0.78 PPARA (0.66) PPARACYP1A2CYP3A4MAPTCYP2C19
SCHEMBL11144161 0.77 PPARA (0.60) PPARACYP1A2CYP3A4MAPTCYP2C19
SCHEMBL4252166 0.76 PPARA (0.64) PPARACYP1A2CYP3A4MAPTCYP2C19
SCHEMBL15439030 0.75 KMT2A (0.44) CYP1A2MAPTCYP2C19MEN1CYP2D6
SCHEMBL9785247 0.73 L3MBTL1 (0.51) CYP1A2CYP3A4MAPTCYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012137-B1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS PROCTER & GAMBLE (US) 2002-11-06 EP disclosed
EP-1012137-A1 AROMATIC C 16?-C 20?-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 2000-06-28 EP disclosed
US-6048895-A ANTAGONISTS OF PROSTAGLANDIN F FOR TREATING BONE FRACTURES AND DISEASES AND GLAUCOMA THE PROCTER & GAMBLE COMPANY (US) 2000-04-11 US disclosed
WO-1999012898-A1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-03-18 WO disclosed