SCHEMBL6936110

SCHEMBL6936110

CNC(Cc1ccc(OCCO/N=C(/C)c2ccc(-c3ccccn3)cc2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.49
PPARA Q07869 4/20 0.45
MEN1 O00255 1/20 0.45
GMNN O75496 1/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ADRB3 P13945 1/20 0.45
TSHR P16473 1/20 0.45
ADRA2B P18089 1/20 0.45
NFKB1 P19838 1/20 0.45
TACR2 P21452 1/20 0.45
SLC6A2 P23975 1/20 0.45
TBXAS1 P24557 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL6936115 1.00 PPARG (0.49) PPARGPPARAMEN1GMNNEGFR
SCHEMBL6933736 0.91 PPARG (0.47) PPARGPPARAMEN1GMNNEGFR
SCHEMBL6933739 0.91 PPARG (0.47) PPARGPPARAMEN1GMNNEGFR
SCHEMBL6936030 0.91 PPARG (0.49) PPARGPPARAMEN1GMNNEGFR
SCHEMBL6938550 0.91 PPARG (0.47) PPARGPPARAMEN1GMNNEGFR
SCHEMBL6938555 0.91 PPARG (0.47) PPARGPPARAMEN1GMNNEGFR
SCHEMBL6936027 0.91 PPARG (0.49) PPARGPPARAMEN1GMNNEGFR
SCHEMBL6934189 0.90 PPARG (0.51) PPARGPPARAMEN1GMNNEGFR
SCHEMBL6939495 0.90 PPARG (0.51) PPARGPPARAMEN1GMNNEGFR
SCHEMBL6933885 0.86 PPARG (0.57) PPARGPPARACYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916651-B1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES SANKYO CO (JP) 2003-10-15 EP claimed
US-6103907-A ALDOSE REDUCTASE INHIBITING ANTIDIABETIC AGENT SANKYO COMPANY, LIMITED (JP) 2000-08-15 US claimed
EP-0916651-A1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 1999-05-19 EP claimed
EP-0916651-B1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES SANKYO CO (JP) 2003-10-15 EP disclosed
US-6103907-A ALDOSE REDUCTASE INHIBITING ANTIDIABETIC AGENT SANKYO COMPANY, LIMITED (JP) 2000-08-15 US disclosed
EP-0916651-A1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 1999-05-19 EP disclosed