SCHEMBL6509332

SCHEMBL6509332

Cc1oc(-c2cccc(F)c2)nc1CCO

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.52
PPARA Q07869 6/20 0.52
KDM1A O60341 2/20 0.51
KDM4E B2RXH2 2/20 0.51
SLC9A1 P19634 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.45
KDR P35968 1/20 0.44
VSIR Q9H7M9 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL3532628 0.90 KDM1A (0.57) PPARGPPARAKDM1AKDM4EALDH1A1
SCHEMBL5210139 0.88 KDM1A (0.48) PPARGPPARAKDM1AKDM4EALDH1A1
SCHEMBL1436917 0.86 PPARA (0.54) PPARGPPARAKDM1AKDM4EALDH1A1
SCHEMBL5204314 0.84 KDM4E (0.54) PPARGPPARAKDM1AKDM4EKDR
SCHEMBL4888438 0.83 PPARG (0.57) PPARGPPARAKDM1AKDM4EMEN1
SCHEMBL12617314 0.83 MAPT (0.53) PPARGPPARAKDM1AKDM4E
SCHEMBL12163868 0.83 KDM4E (0.50) PPARGPPARAKDM1AKDM4ESLC9A1
SCHEMBL4830084 0.83 KDM4E (0.50) PPARGPPARAKDM1AKDM4ESLC9A1
SCHEMBL1436051 0.82 PPARA (0.51) PPARGPPARAKDM4EALDH1A1HRH3
SCHEMBL979145 0.82 KDM4E (0.65) PPARGPPARAKDM4EKDRHRH3

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
CN-1810795-A Benzopyran compound and its prepn and use SHANGHAI INST OF MEDICAMENTS C (CN) 2006-08-02 CN disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed
WO-2005040099-A1 PROCESSES FOR PRODUCING 3-SUBSTITUTED (2R,3R)-2-(PROTECTED AMINO)-3-HYDROXYPROPIONIC ACID DERIVATIVE AND INTERMEDIATE THEREFOR ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-06 WO disclosed