SCHEMBL6233940

SCHEMBL6233940

Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc(C(C)C(=O)O)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.58
PPARA Q07869 3/20 0.58
PPARG P37231 4/20 0.57
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
MRGPRX4 Q96LA9 6/20 0.44
FFAR1 O14842 1/20 0.44
MAOA P21397 1/20 0.43
ADRA1A P35348 1/20 0.43
APP P05067 1/20 0.41
PTPN1 P18031 1/20 0.41
VDR P11473 1/20 0.41

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
SCHEMBL6237180 0.84 PPARD (0.63) PPARDPPARAPPARGMRGPRX4FFAR1
SCHEMBL6236452 0.81 PPARD (0.83) PPARDPPARAPPARGFFAR1PTPN1
SCHEMBL6233944 0.80 PPARD (0.56) PPARDPPARAPPARGMRGPRX4FFAR1
SCHEMBL6234038 0.76 PPARD (0.76) PPARDPPARAPPARGFFAR1PTPN1
SCHEMBL6234073 0.76 PPARD (0.75) PPARDPPARAPPARGFFAR1PTPN1
SCHEMBL6219975 0.74 PPARD (0.60) PPARDPPARAPPARGFFAR1PTPN1
SCHEMBL6238213 0.73 PPARD (1.00) PPARDPPARAPPARGFFAR1
SCHEMBL6236846 0.73 PPARD (0.74) PPARDPPARAPPARGFFAR1VDR
SCHEMBL6109864 0.73 PPARD (0.61) PPARDPPARAPPARGFFAR1PTPN1
SCHEMBL6236889 0.73 PPARD (1.00) PPARDPPARAPPARGFFAR1PTPN1

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-1189895-B1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-06-08 EP claimed