SCHEMBL9514640

SCHEMBL9514640

COC(=O)c1cc2c(c(OC)c1Br)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 5/20 0.59
POLB P06746 5/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATR Q13535 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL9515570 0.85 TARBP2 (0.73) TARBP2POLBKDM4EALDH1A1CYP1A2
SCHEMBL17714990 0.84 TARBP2 (0.48) TARBP2POLBKDM4EALDH1A1MEN1
SCHEMBL17714981 0.84 TARBP2 (0.60) TARBP2POLBKDM4EALDH1A1CYP1A2
SCHEMBL17714988 0.84 TARBP2 (0.48) TARBP2POLBKDM4EALDH1A1MEN1
SCHEMBL17715247 0.83 TARBP2 (0.47) TARBP2POLBKDM4EALDH1A1CYP1A2
SCHEMBL5242268 0.83 TARBP2 (0.59) TARBP2POLBKDM4EALDH1A1CYP1A2
SCHEMBL17714992 0.83 TARBP2 (0.59) TARBP2POLBKDM4EALDH1A1CYP1A2
SCHEMBL9514705 0.79 TARBP2 (0.64) TARBP2POLBKDM4EGSK3BMEN1
SCHEMBL17714991 0.79 TARBP2 (0.55) TARBP2POLBKDM4EALDH1A1CDK2
SCHEMBL16397007 0.78 TARBP2 (0.47) TARBP2POLBKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214299-A Gamma-biphenyldicarboxylate intermediate, synthetic method thereof and gamma-biphenyldicarboxylate synthetic method 重庆西南制药二厂有限责任公司 2021-08-06 CN claimed
CN-113214299-A Gamma-biphenyldicarboxylate intermediate, synthetic method thereof and gamma-biphenyldicarboxylate synthetic method 重庆西南制药二厂有限责任公司 2021-08-06 CN disclosed
US-9328084-B2 Nitrogen-containing biphenyl compounds, pharmaceutical compositions of same, preparation methods and anti-HIV-1 uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2016-05-03 US disclosed
US-9328084-B2 Nitrogen-containing biphenyl compounds, pharmaceutical compositions of same, preparation methods and anti-HIV-1 uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2016-05-03 US disclosed
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
EP-0269754-A1 NOVEL BIPHENYL DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE TSUMURA & CO. (JP) 1988-06-08 EP disclosed