SCHEMBL9329600

SCHEMBL9329600

CCOc1c(OC)c(OC)cc(C(=O)O)c1-c1c(C(=O)O)cc(OC)c2c1OCO2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EDNRA P25101 2/20 0.37
CYP2D6 P10635 1/20 0.37
BPTF Q12830 1/20 0.36
NEK2 P51955 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
TPMT P51580 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL9328253 0.96 KDM4E (0.40) CYP3A4ALOX15PKMKDM4ETSHR
SCHEMBL9329569 0.90 PKM (0.46) CYP3A4ALOX15PKMKDM4EHSD17B10
SCHEMBL9328107 0.89 KDM4E (0.45) CYP3A4ALOX15KDM4EHSD17B10SMN1; SMN2
SCHEMBL9329537 0.86 TARBP2 (0.42) CYP3A4ALOX15KDM4EHSD17B10BPTF
SCHEMBL9329585 0.85 LMNA (0.39) CYP3A4ALOX15TSHRHSD17B10SMN1; SMN2
SCHEMBL9094972 0.84 LCK (0.46) CYP3A4ALOX15PKMKDM4ETSHR
SCHEMBL9328127 0.83 NPSR1 (0.41) CYP3A4ALOX15KDM4EHSD17B10SMN1; SMN2
SCHEMBL9327972 0.82 LMNA (0.42) CYP3A4ALOX15TSHRHSD17B10MEN1
SCHEMBL9603034 0.80 CYP3A4 (0.43) CYP3A4ALOX15PKMKDM4ESMN1; SMN2
SCHEMBL9330285 0.79 POLB (0.51) CYP3A4ALOX15KDM4EHSD17B10MEN1

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