SCHEMBL6933736

SCHEMBL6933736

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.47
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP19A1 P11511 1/20 0.43
PPARA Q07869 5/20 0.42
MEN1 O00255 1/20 0.42
GMNN O75496 1/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAPT P10636 1/20 0.42
ADRB3 P13945 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.42
NFKB1 P19838 1/20 0.42
TACR2 P21452 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL6933739 1.00 PPARG (0.47) PPARGCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6939495 0.93 PPARG (0.51) PPARGCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6934189 0.93 PPARG (0.51) PPARGCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6938825 0.92 PPARG (0.44) PPARGCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6938827 0.92 PPARG (0.44) PPARGCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6936115 0.91 PPARG (0.49) PPARGCYP2D6CYP2C9CYP2C19PPARA
SCHEMBL6936110 0.91 PPARG (0.49) PPARGCYP2D6CYP2C9CYP2C19PPARA
Hydrochloric Acid SCHEMBL6939596 0.91 PPARG (0.44) PPARGCYP2D6CYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL6939600 0.91 PPARG (0.44) PPARGCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6938555 0.90 PPARG (0.47) PPARGCYP2D6CYP2C9CYP2C19CYP1A2

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