SCHEMBL9513890

SCHEMBL9513890

COc1cc(C(=O)O)c(-c2c(C(=O)O)cc3c(c2OC)OCO3)c(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ATR Q13535 1/20 0.55
HTT P42858 2/20 0.53
RECQL P46063 2/20 0.53
OPRK1 P41145 1/20 0.53
TARBP2 Q15633 5/20 0.50
POLB P06746 4/20 0.49
CYP3A4 P08684 2/20 0.45
CDK2 P24941 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 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
SCHEMBL9514705 0.88 TARBP2 (0.64) GSK3BMEN1KMT2AATRHTT
SCHEMBL9329569 0.86 PKM (0.46) GSK3BMEN1KMT2AATRHTT
SCHEMBL4299733 0.81 PKM (0.60) POLBCYP3A4ALDH1A1MAPTPKM
SCHEMBL9515570 0.79 TARBP2 (0.73) GSK3BMEN1KMT2AATRHTT
SCHEMBL18489995 0.79 PKM (0.48) MEN1KMT2APOLBCYP3A4CDK2
SCHEMBL9329600 0.78 CYP3A4 (0.40) GSK3BMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL10615868 0.77 TARBP2 (0.44) GSK3BMEN1KMT2AATRHTT
SCHEMBL9094972 0.77 LCK (0.46) MEN1KMT2APOLBCYP3A4CDK2
SCHEMBL17714986 0.77 TARBP2 (0.70) GSK3BMEN1KMT2AATRHTT
SCHEMBL1368787 0.76 CYP3A4 (0.51) MEN1KMT2APOLBCYP3A4CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269754-B1 NOVEL BIPHENYL DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE TSUMURA & CO (JP) 1993-11-03 EP disclosed
US-5032685-A Hepatitis TSUMURA JUNTENDO, INC. (JP) 1991-07-16 US disclosed
US-4987240-A PREFERENTIAL DEHALOGENATION OF CHEMICAL INTERMEDIATE TSUMURA & CO. (JP) 1991-01-22 US disclosed
US-4962211-A MODERATING ACTION ON LIVER DISORDERS; CHEMICAL INTERMEDIATES; ACUTE AND CHRONIC HEPATITIS TSUMURA & CO. (JP) 1990-10-09 US disclosed
US-4904694-A HEPATITIS TSUMURA & CO. (JP) 1990-02-27 US disclosed