SCHEMBL4431234

SCHEMBL4431234

Cc1c(Cc2ccc([S+]([O-])N3CCOCC3)c(Cl)c2)c2cc(C#N)ccn2c1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.36
AR P10275 1/20 0.33
CDK1 P06493 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL3327423 0.83 CNR1 (0.39) RORCALDH1A1PTGDR2
SCHEMBL3327642 0.81 ALDH1A1 (0.45) ALDH1A1PTGDR2
SCHEMBL4636743 0.78 PTGES (0.38) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3324726 0.77 RORC (0.34) RORCPTGDR2
SCHEMBL4636233 0.74 PTGDR2 (0.41) PTGDR2
SCHEMBL3326854 0.74 KMT2A (0.40) ALDH1A1CYP1A2CYP2C19
SCHEMBL3332006 0.72 MAPK1 (0.43) ALDH1A1
SCHEMBL3570506 0.71 PTGES (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3327671 0.68 MAPT (0.33) RORC
SCHEMBL4636111 0.68 MAPT (0.38) KDM4EALDH1A1HPGD

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-2136804-A1 INDOLIZINE ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Argenta Oral Therapeutics Limited (GB) 2009-12-30 EP disclosed
WO-2008113965-A1 INDOLIZINE ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-09-25 WO disclosed