SCHEMBL9736654

SCHEMBL9736654

CCc1c(C(C)CC(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPT P10636 2/20 0.55
CYP2C9 P11712 2/20 0.55
TSHR P16473 2/20 0.55
CYP2C19 P33261 2/20 0.55
HIF1A Q16665 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TBXA2R P21731 7/20 0.48
PTGDR2 Q9Y5Y4 7/20 0.46
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1B1 P15121 1/20 0.44
MEN1 O00255 1/20 0.44
RGS12 O14924 1/20 0.44
ALDH1A1 P00352 1/20 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
SCHEMBL10510589 0.89 CYP1A2 (0.54) PTGES2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL9736794 0.87 PTGES2 (0.62) PTGES2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL10510186 0.76 PTGES2 (0.64) PTGES2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL9736685 0.75 PTGES2 (0.51) PTGES2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL9735915 0.75 PTGES2 (0.66) PTGES2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL9737811 0.75 PTGES2 (0.69) PTGES2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL9736170 0.74 PTGES2 (0.62) PTGES2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL9669234 0.74 CYP3A4 (0.53) PTGES2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL10509487 0.73 PTGES2 (0.64) PTGES2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL9736724 0.73 LMNA (0.61) PTGES2CYP1A2CYP3A4MAPTCYP2C9

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
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-A2 Indole-2-alkanoic acids and their use as prostaglandin antagonists MERCK FROSST CANADA INC. (CA) 1986-01-02 EP claimed
US-5081145-A Contractile prostaglandin antagonists MERCK FROSST CANADA, INC. (CA) 1992-01-14 US disclosed
EP-0166591-B1 INDOLE-2-ALKANOIC ACIDS AND THEIR USE AS PROSTAGLANDIN ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1989-11-23 EP disclosed
EP-0166591-A2 Indole-2-alkanoic acids and their use as prostaglandin antagonists MERCK FROSST CANADA INC. (CA) 1986-01-02 EP disclosed