SCHEMBL9157976

SCHEMBL9157976

COC(=O)c1cc(-c2ccc(C)c(C(=O)O)c2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.53
CFD P00746 1/20 0.46
KDM4E B2RXH2 3/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ESR2 Q92731 1/20 0.43
POLB P06746 1/20 0.43
NR4A2 P43354 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RXRB P28702 2/20 0.41
PTGER4 P35408 1/20 0.41
APAF1 O14727 1/20 0.41
RECQL P46063 1/20 0.41
CASP6 P55212 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 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
SCHEMBL70184 0.93 KDM4E (0.47) MCL1KDM4ENR4A2CYP1A2CYP2D6
SCHEMBL9149082 0.92 MCL1 (0.53) MCL1CFDKDM4EGFERKMT2A
SCHEMBL7671667 0.88 NR4A2 (0.56) MCL1KDM4EKMT2ANR4A2DHFR
SCHEMBL70164 0.87 MCL1 (0.66) MCL1CFDKDM4EGFERKMT2A
SCHEMBL7666837 0.86 ALDH1A1 (0.50) MCL1KDM4EKMT2APOLBNR4A2
SCHEMBL9149067 0.86 KDM4E (0.46) MCL1KDM4ENR4A2CYP1A2CYP2D6
SCHEMBL15136227 0.85 MCL1 (0.61) MCL1CFDKDM4EGFERKMT2A
Hydrochloric Acid SCHEMBL9153007 0.85 MCL1 (0.63) MCL1CFDKDM4EGFERKMT2A
SCHEMBL13941279 0.83 CFD (0.50) MCL1CFDKDM4EGFERKMT2A
SCHEMBL338081 0.83 CFD (0.50) MCL1CFDKDM4EGFERKMT2A

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-0439616-B1 METHOD OF PRODUCING 3,4,3',4'-SUBSTITUTED BIPHENYL COMPOUNDS UBE INDUSTRIES (JP) 1995-01-04 EP disclosed
US-5243067-A Oxidative coupling UBE INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed
EP-0439616-A1 METHOD OF PRODUCING 3,4,3',4'-SUBSTITUTED BIPHENYL COMPOUNDS UBE INDUSTRIES, LTD. (JP) 1991-08-07 EP disclosed