SCHEMBL4030788

SCHEMBL4030788

Cc1oc(-c2ccccc2)nc1COc1ccc(COc2cncc(CC(=O)O)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.66
PPARG P37231 15/20 0.58
PPARA Q07869 15/20 0.58
KDR P35968 1/20 0.57
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 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
SCHEMBL4034346 0.96 FFAR1 (0.66) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4035144 0.91 KDR (0.67) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4032164 0.90 FFAR1 (0.76) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4029476 0.90 KDR (0.67) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4032526 0.89 KDR (0.69) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4030470 0.88 KDR (0.70) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4035383 0.88 FFAR1 (0.60) FFAR1PPARGPPARAKDRMAPT
SCHEMBL5403576 0.88 FFAR1 (0.79) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4029683 0.86 KDR (0.70) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4033666 0.86 FFAR1 (0.55) FFAR1PPARGPPARAKDRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
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