SCHEMBL5201183

SCHEMBL5201183

C=CC(Cc1cccc(C(F)(F)F)c1)(C(=O)O)c1ccc(-c2ccccc2)c(-c2cccc3c2oc2ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.44
CDC14B O60729 2/20 0.40
CDC14A Q9UNH5 2/20 0.40
GPR52 Q9Y2T5 4/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
ALOX5 P09917 2/20 0.36
PTPRC P08575 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN9 P43378 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN11 Q06124 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
CNR2 P34972 1/20 0.36
ANO1 Q5XXA6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5201192 0.93 GGPS1 (0.43) GGPS1CDC14BCDC14AGPR52PTGDR2
SCHEMBL5906858 0.69 GGPS1 (0.41) GGPS1GPR52ALOX5PTPRCPTPN2
SCHEMBL5906844 0.69 GGPS1 (0.41) GGPS1GPR52ALOX5PTPRCPTPN2
SCHEMBL5906851 0.69 GGPS1 (0.41) GGPS1GPR52ALOX5PTPRCPTPN2
SCHEMBL4269557 0.68 GGPS1 (0.41) GGPS1GPR52ALOX5ANO1MEN1
SCHEMBL4265412 0.67 GGPS1 (0.41) GGPS1GPR52ALOX5ANO1MEN1
SCHEMBL5203444 0.66 ALOX5 (0.49) GGPS1CDC14BCDC14AALOX5
SCHEMBL4459383 0.66 KEAP1 (0.48) NPSR1ALDH1A1
SCHEMBL5785100 0.66 ALOX5 (0.54) GGPS1CDC14BCDC14AALOX5ATM
SCHEMBL5046221 0.66 ALOX5 (0.47) GGPS1CDC14BCDC14AALOX5MEN1

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-1805159-A1 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-07-11 EP disclosed
WO-2006050212-A1 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2006-05-11 WO disclosed