SCHEMBL9328253

SCHEMBL9328253

CCOc1c(OC)cc(C(=O)O)c(-c2c(C(=O)O)cc(OC)c3c2OCO3)c1OCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 1/20 0.39
BPTF Q12830 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RCE1 Q9Y256 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
EDNRA P25101 2/20 0.36
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL9329600 0.96 CYP3A4 (0.40) KDM4ETSHRHSD17B10CYP3A4ALOX15
SCHEMBL9329537 0.89 TARBP2 (0.42) KDM4EHSD17B10CYP3A4ALOX15BPTF
SCHEMBL9329585 0.88 LMNA (0.39) TSHRHSD17B10CYP3A4ALOX15ALDH1A1
SCHEMBL9329569 0.86 PKM (0.46) KDM4EHSD17B10CYP3A4ALOX15ALDH1A1
SCHEMBL9328107 0.86 KDM4E (0.45) KDM4EHSD17B10CYP3A4ALOX15POLB
SCHEMBL9094972 0.85 LCK (0.46) KDM4ETSHRHSD17B10CYP3A4ALOX15
SCHEMBL9603034 0.81 CYP3A4 (0.43) KDM4ECYP3A4ALOX15ALDH1A1POLB
SCHEMBL9328127 0.80 NPSR1 (0.41) KDM4EHSD17B10CYP3A4ALOX15POLB
SCHEMBL9327972 0.78 LMNA (0.42) TSHRHSD17B10CYP3A4ALOX15ALDH1A1
SCHEMBL4299370 0.77 TSHR (0.57) TSHRHSD17B10CYP3A4ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0267970-B1 NOVEL BIPHENYL DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE TSUMURA & CO (JP) 1994-03-16 EP disclosed
US-5264594-A Alkylation of carbonates TSUMURA & CO. (JP) 1993-11-23 US disclosed
US-4996331-A Novel biphenyl derivative and preparation and use thereof TSUMURA & CO. (JP) 1991-02-26 US disclosed
US-4925872-A HEPATITIS TSUMURA & CO. (JP) 1990-05-15 US disclosed
US-4849448-A LIVER DISORDER TREATMENT TSUMURA JUNTENDO, INC. (JP) 1989-07-18 US disclosed
EP-0267970-A1 NOVEL BIPHENYL DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE TSUMURA & CO. (JP) 1988-05-25 EP disclosed