SCHEMBL4611227

SCHEMBL4611227

COc1cccc(CCNC(=O)N(C)c2cccc(-c3ccc(CCC(=O)O)cc3OCCCC(F)(F)F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.45
FFAR1 O14842 6/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL2086110 0.91 KCNH2 (0.44) KCNH2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4612375 0.89 PPARA (0.43) KCNH2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL2083300 0.88 FFAR1 (0.50) FFAR1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL2083494 0.87 FFAR1 (0.40) KCNH2FFAR1ALDH1A1
SCHEMBL4610356 0.85 FFAR1 (0.51) FFAR1
SCHEMBL2082976 0.85 PTGS2 (0.41) FFAR1ALDH1A1
SCHEMBL2085519 0.83 KDM4E (0.51) FFAR1OPRM1OPRD1OPRK1KDM4E
SCHEMBL4969418 0.82 FFAR1 (0.45) KCNH2FFAR1ALDH1A1MEN1KMT2A
SCHEMBL2087473 0.82 KCNH2 (0.37) KCNH2FFAR1
SCHEMBL2085155 0.81 FFAR1 (0.49) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP claimed