SCHEMBL4950823

SCHEMBL4950823

O=C(O)c1c(-c2ccc(O)cc2Cl)ccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
CYP17A1 P05093 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
MIF P14174 1/20 0.42
LDHA P00338 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
SCHEMBL1661024 0.82 HSD17B10 (0.63) KMT2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5613007 0.78 CYP2C19 (0.53) KMT2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL10783918 0.77 MEN1 (0.57) KMT2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5443146 0.76 LMNA (0.51) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL3146455 0.76 HSD17B10 (0.59) KMT2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5002570 0.75 ALOX5 (0.45) KMT2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL28328296 0.75 ALOX5 (0.52) KMT2AKDM4EMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11726958 0.74 KMT2A (0.57) KMT2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL1195261 0.74 MEN1 (0.57) KMT2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL10783912 0.72 CYP1A2 (0.55) KMT2AKDM4EMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962838-A2 FARNESOID X RECEPTOR AGONISTS Smithkline Beecham Corporation (US) 2008-09-03 EP disclosed
WO-2007076260-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed