SCHEMBL10508360

SCHEMBL10508360

Cc1c(CC(C)(C)C(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 17/20 0.77
KDM4E B2RXH2 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
MAPT P10636 1/20 0.77
CYP2C9 P11712 1/20 0.77
HPGD P15428 1/20 0.77
TSHR P16473 1/20 0.77
CYP2C19 P33261 1/20 0.77
HIF1A Q16665 1/20 0.77
HSD17B10 Q99714 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
PTGES O14684 7/20 0.57
TBXAS1 P24557 2/20 0.55

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
SCHEMBL3252820 0.87 PTGES2 (1.00) PTGES2KDM4ECYP1A2CYP3A4MAPT
SCHEMBL29503039 0.87 PTGES2 (1.00) PTGES2KDM4ECYP1A2CYP3A4MAPT
SCHEMBL10509487 0.85 PTGES2 (0.64) PTGES2KDM4ECYP1A2CYP3A4MAPT
SCHEMBL10510953 0.84 PTGES2 (0.69) PTGES2KDM4ECYP1A2CYP3A4MAPT
SCHEMBL12675694 0.84 PTGES2 (0.77) PTGES2KDM4ECYP1A2CYP3A4MAPT
SCHEMBL10508813 0.83 PTGES2 (0.73) PTGES2KDM4ECYP1A2CYP3A4MAPT
SCHEMBL9738717 0.82 PTGES2 (0.79) PTGES2KDM4ECYP1A2CYP3A4MAPT
SCHEMBL10510186 0.81 PTGES2 (0.64) PTGES2KDM4ECYP1A2CYP3A4MAPT
SCHEMBL9737527 0.80 PTGES2 (0.66) PTGES2KDM4ECYP1A2CYP3A4MAPT
SCHEMBL9737953 0.80 PTGES2 (0.82) PTGES2KDM4ECYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0166591-B1 INDOLE-2-ALKANOIC ACIDS AND THEIR USE AS PROSTAGLANDIN ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1989-11-23 EP claimed
EP-0166591-B1 INDOLE-2-ALKANOIC ACIDS AND THEIR USE AS PROSTAGLANDIN ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1989-11-23 EP disclosed