SCHEMBL9150203

SCHEMBL9150203

COC(=O)c1ccc(-c2ccc(C(=O)O)c(C)c2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 2/20 0.57
RXRA P19793 1/20 0.55
RARB P10826 1/20 0.50
MCL1 Q07820 2/20 0.49
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 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
SCHEMBL2884545 0.93 KDM4E (0.52) RXRBRXRAKDM4EGAAALDH1A1
SCHEMBL9149082 0.92 MCL1 (0.53) RXRBRXRARARBMCL1PDE4A
SCHEMBL14084580 0.88 EGFR (0.56) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL2811988 0.87 RXRB (0.63) RXRBRXRARARBMCL1PDE4A
SCHEMBL1498034 0.87 RXRB (0.70) RXRBRXRARARBMCL1PDE4A
SCHEMBL29771992 0.87 RXRB (0.70) RXRBRXRARARBMCL1PDE4A
SCHEMBL9149067 0.86 KDM4E (0.46) RXRBRXRAMCL1KDM4EGAA
SCHEMBL15136227 0.85 MCL1 (0.61) RXRBRXRARARBMCL1KDM4E
Hydrochloric Acid SCHEMBL4365452 0.85 RXRB (0.68) RXRBRXRARARBMCL1PDE4A
Hydrochloric Acid SCHEMBL9150803 0.85 RXRB (0.68) RXRBRXRARARBMCL1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439616-B1 METHOD OF PRODUCING 3,4,3',4'-SUBSTITUTED BIPHENYL COMPOUNDS UBE INDUSTRIES (JP) 1995-01-04 EP disclosed