SCHEMBL4037778

SCHEMBL4037778

CCCc1ccc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1OCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.63
PPARG P37231 17/20 0.61
PPARA Q07869 17/20 0.61
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
KDR P35968 1/20 0.52
PPARD Q03181 1/20 0.50

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
SCHEMBL4032647 0.92 FFAR1 (0.58) FFAR1PPARGPPARAPTPN2PTPN1
SCHEMBL1747047 0.88 FFAR1 (0.71) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4030423 0.85 FFAR1 (0.61) FFAR1PPARGPPARAPTPN2PTPN1
SCHEMBL4030165 0.84 FFAR1 (0.61) FFAR1PPARGPPARAPTPN2PTPN1
SCHEMBL5112788 0.83 PPARD (0.61) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4037966 0.82 FFAR1 (0.63) FFAR1PPARGPPARAKDR
SCHEMBL5105247 0.82 PPARG (0.70) FFAR1PPARGPPARAKDR
SCHEMBL5110792 0.82 PPARG (0.74) PPARGPPARAPPARD
SCHEMBL1744988 0.81 FFAR1 (0.64) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4033748 0.81 FFAR1 (0.78) FFAR1PPARGPPARAKDRPPARD

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