SCHEMBL9329569

SCHEMBL9329569

COc1cc(C(=O)O)c(-c2c(C(=O)O)cc(OC)c3c2OCO3)c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
GSK3B P49841 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATR Q13535 1/20 0.42
POLB P06746 3/20 0.42
HTT P42858 2/20 0.41
RECQL P46063 2/20 0.41
OPRK1 P41145 1/20 0.41
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NQO1 P15559 1/20 0.38
TPMT P51580 1/20 0.38

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
SCHEMBL9094972 0.91 LCK (0.46) PKMCYP3A4ALOX15MEN1KMT2A
SCHEMBL9329600 0.90 CYP3A4 (0.40) PKMCYP3A4ALOX15GSK3BMEN1
SCHEMBL9330285 0.88 POLB (0.51) CYP3A4ALOX15GSK3BMEN1KMT2A
SCHEMBL9513890 0.86 GSK3B (0.55) PKMCYP3A4GSK3BMEN1KMT2A
SCHEMBL9328253 0.86 KDM4E (0.40) PKMCYP3A4ALOX15POLBLCK
SCHEMBL1368787 0.84 CYP3A4 (0.51) PKMCYP3A4ALOX15MEN1KMT2A
SCHEMBL30209179 0.84 CYP3A4 (0.51) PKMCYP3A4ALOX15MEN1KMT2A
SCHEMBL4299733 0.83 PKM (0.60) PKMCYP3A4POLBLCKFYN
SCHEMBL9603034 0.83 CYP3A4 (0.43) PKMCYP3A4ALOX15MEN1KMT2A
SCHEMBL9327972 0.83 LMNA (0.42) CYP3A4ALOX15GSK3BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62294677-A None JP disclosed
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
JP-S62294677-A NOVEL BIPHENYL AND PRODUCTION THEREOF TSUMURA JUNTENDO INC 1987-12-22 JP disclosed