SCHEMBL9736170

SCHEMBL9736170

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 7/20 0.62
MAPT P10636 2/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
HIF1A Q16665 1/20 0.62
HSD17B10 Q99714 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
PTGDR2 Q9Y5Y4 3/20 0.47
TBXA2R P21731 5/20 0.46
PTGES O14684 2/20 0.45
AKR1B1 P15121 1/20 0.45
TBXAS1 P24557 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
SCHEMBL9736794 0.85 PTGES2 (0.62) PTGES2MAPTKDM4ECYP1A2CYP3A4
SCHEMBL10509487 0.83 PTGES2 (0.64) PTGES2MAPTKDM4ECYP1A2CYP3A4
SCHEMBL9737811 0.83 PTGES2 (0.69) PTGES2MAPTKDM4ECYP1A2CYP3A4
SCHEMBL10510186 0.81 PTGES2 (0.64) PTGES2MAPTKDM4ECYP1A2CYP3A4
SCHEMBL10510953 0.80 PTGES2 (0.69) PTGES2MAPTKDM4ECYP1A2CYP3A4
SCHEMBL10508360 0.80 PTGES2 (0.77) PTGES2MAPTKDM4ECYP1A2CYP3A4
SCHEMBL9737535 0.80 MAPT (0.57) PTGES2MAPTKDM4ECYP1A2CYP3A4
SCHEMBL9736726 0.79 PTGES2 (0.67) PTGES2MAPTKDM4ECYP1A2CYP3A4
SCHEMBL9669234 0.77 CYP3A4 (0.53) PTGES2MAPTKDM4ECYP1A2CYP3A4
SCHEMBL3252820 0.77 PTGES2 (1.00) PTGES2MAPTKDM4ECYP1A2CYP3A4

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