SCHEMBL6938825

SCHEMBL6938825

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARA Q07869 5/20 0.38
GAA P10253 2/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK14 Q16539 1/20 0.36
SMO Q99835 1/20 0.36

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
SCHEMBL6938827 1.00 PPARG (0.44) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
Hydrochloric Acid SCHEMBL6939600 0.99 PPARG (0.44) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
Hydrochloric Acid SCHEMBL6939596 0.99 PPARG (0.44) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6933739 0.92 PPARG (0.47) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6933736 0.92 PPARG (0.47) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6939639 0.90 PPARG (0.45) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6939641 0.90 PPARG (0.45) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6936836 0.86 PPARG (0.47) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6936834 0.86 PPARG (0.47) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6934039 0.86 PPARG (0.43) PPARGCYP1A2CYP2D6CYP19A1CYP2C9

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-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