SCHEMBL5202665

SCHEMBL5202665

CCOc1ccc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c(CC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
PPARG P37231 13/20 0.55
PPARA Q07869 13/20 0.55
KDR P35968 1/20 0.53
KDM4E B2RXH2 1/20 0.50
MAPT P10636 2/20 0.49

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
SCHEMBL4035001 0.97 FFAR1 (0.62) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4031396 0.95 FFAR1 (0.64) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4030383 0.92 FFAR1 (0.56) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4034488 0.92 FFAR1 (0.62) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4031905 0.91 FFAR1 (0.70) FFAR1PPARGPPARAKDR
SCHEMBL4030062 0.91 FFAR1 (0.63) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL2534811 0.91 FFAR1 (0.63) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4032405 0.91 FFAR1 (0.63) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4037966 0.90 FFAR1 (0.63) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4038447 0.90 FFAR1 (0.57) FFAR1PPARGPPARAKDRMAPT

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
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed