SCHEMBL867944

SCHEMBL867944

O=C(c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.69
MAPK1 P28482 4/20 0.65
TTR P02766 3/20 0.54
GPR35 Q9HC97 2/20 0.54
ABCC3 O15438 1/20 0.54
ABCC4 O15439 1/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
NR3C1 P04150 1/20 0.54
PGR P06401 1/20 0.54
HTR1A P08908 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
RARB P10826 1/20 0.54
COMT P21964 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADORA1 P30542 1/20 0.54
ADRA1A P35348 1/20 0.54
PTGS2 P35354 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
Methane SCHEMBL28199058 0.98 VCAM1 (0.68) VCAM1MAPK1TTRGPR35ABCC3
Methane SCHEMBL27604929 0.98 VCAM1 (0.68) VCAM1MAPK1TTRGPR35ABCC3
Arsenic SCHEMBL28025098 0.98 VCAM1 (0.68) VCAM1MAPK1TTRGPR35ABCC3
SCHEMBL27602539 0.94 VCAM1 (0.62) VCAM1MAPK1TTRGPR35ABCC3
SCHEMBL7103159 0.91 VCAM1 (0.65) VCAM1MAPK1TTRGPR35ABCC3
SCHEMBL5595136 0.87 MAPK1 (0.69) VCAM1MAPK1TTRGPR35ABCC3
Benzoic Acid SCHEMBL28359564 0.87 CASP6 (0.64) VCAM1MAPK1GPR35CES2CES1
SCHEMBL11014183 0.86 MAPK1 (0.73) VCAM1MAPK1TTRGPR35ABCC3
SCHEMBL29634883 0.85 TTR (0.73) VCAM1MAPK1TTRGPR35ABCC3
SCHEMBL10037252 0.85 TTR (0.73) VCAM1MAPK1TTRGPR35ABCC3

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101668425-A Tri-aryl/heteroaroaromatic cannabinoids and use thereof UNIV TENNESSEE RES FOUNDATION 2010-03-10 CN claimed
CN-109467512-B Synthetic method of 3, 4-diamino-benzophenone 苏州开元民生科技股份有限公司 2021-06-08 CN disclosed
CN-104211692-B Derivative as Ou Ruola kinase inhibitor 广东东阳光药业有限公司 2019-05-24 CN disclosed
CN-109467512-A A kind of synthetic method of 3,4- diamino-benzophenone 苏州开元民生科技股份有限公司 2019-03-15 CN disclosed
CN-108912228-A Anti- CD100 antibody and its application method 瓦西尼斯公司 2018-11-30 CN disclosed
CN-107852786-A Organic EL display circular polarizing disk and organic EL display 日东电工株式会社 2018-03-27 CN disclosed
CN-103992469-B Polycarbonate and molded article thereof 三菱化学株式会社 2018-03-16 CN disclosed
CN-107266892-A Forming machine and extruder resin composition for cleaning 株式会社东京商会 2017-10-20 CN disclosed
CN-107076916-A Circularly polarizing plate for organic EL display device and organic EL display device 日东电工株式会社 2017-08-18 CN disclosed
CN-106459572-A Polycarbonate resin composition, and optical material and optical lens using same 三菱瓦斯化学株式会社 2017-02-22 CN disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed
EP-0098865-B1 PEPTIDE SYNTHESIS AND AMINO ACID BLOCKING AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1989-03-01 EP disclosed
EP-0098865-A4 PEPTIDE SYNTHESIS AND AMINO ACID BLOCKING AGENTS. RESEARCH CORP (US) 1986-11-20 EP disclosed
US-4581167-A DIPEPTIDE INTERMEDIATE RESEARCH CORPORATION (US) 1986-04-08 US disclosed
US-4508657-A Peptide synthesis and amino acid blocking agents RESEARCH CORPORATION (US) 1985-04-02 US disclosed
EP-0098865-A1 PEPTIDE SYNTHESIS AND AMINO ACID BLOCKING AGENTS. RESEARCH CORP (US) 1984-01-25 EP disclosed
WO-1983002448-A1 PEPTIDE SYNTHESIS AND AMINO ACID BLOCKING AGENTS RESEARCH CORP (US) 1983-07-21 WO disclosed
US-4394519-A N-(INDENYLMETHOXYCARBONYL) AMINO ACIDS RESEARCH CORPORATION (US) 1983-07-19 US disclosed