SCHEMBL115187

SCHEMBL115187

c1ccc(P(c2ccccc2)c2cccc3c2Cc2ccccc2O3)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
DRD1 P21728 2/20 0.46
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACSL1 P33121 1/20 0.31

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
SCHEMBL2658102 0.83 MAOA (0.46) MAOAMAOBDRD1GAANPSR1
SCHEMBL30168142 0.83 MAOA (0.46) MAOAMAOBDRD1GAANPSR1
SCHEMBL31673358 0.81 MAOA (0.50) MAOAMAOBDRD1GAANPSR1
SCHEMBL29162239 0.80 MAOA (0.53) MAOAMAOBGAANPSR1MAPKAPK2
SCHEMBL6599506 0.78 MAOA (0.43) MAOAMAOBDRD1GAANPSR1
SCHEMBL29162238 0.76 MAOA (0.48) MAOAMAOBGAANPSR1MAPKAPK2
SCHEMBL21694013 0.76 MAOA (0.48) MAOAMAOBGAANPSR1MAPKAPK2
SCHEMBL15760224 0.75 DRD1 (0.59) MAOAMAOBDRD1GAACYP3A4
Xanthene SCHEMBL11341342 0.75 DRD1 (0.74) MAOAMAOBDRD1
SCHEMBL11218266 0.74 MAOA (0.59) MAOAMAOBGAANPSR1MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118125926-A Dimethylaminoethoxy ethanol methyl synthesis process and system 安徽恒光聚氨酯材料有限公司 2024-06-04 CN claimed
CN-116802187-A Organometallic compounds 优米科尔股份公司及两合公司 2023-09-22 CN claimed
CN-111099941-A Preparation method of alkyl nitrile compound 中国科学院上海有机化学研究所 2020-05-05 CN claimed
CN-105601495-B It is a kind of how the synthetic method of the smooth intermediate of appropriate pyrrole 合肥利夫生物科技有限公司 2018-05-29 CN claimed
CN-105541594-B It is a kind of how the synthetic method of the smooth intermediate 2 of appropriate pyrrole (3,5 bis trifluoromethyl phenyl) 2 methylpropanoic acids 合肥利夫生物科技有限公司 2017-07-28 CN claimed
CN-101973911-B Method for synthesizing anastrozole intermediate-2,2'-(5-methyl-1,3-phenylene)-bis-(2-methyl propionitrile) USTC UNIV SCIENCE TECH CN 2013-11-06 CN claimed
CN-102001933-B Method for synthesizing naproxen USTC UNIV SCIENCE TECH CN 2013-07-17 CN claimed
CN-101973869-B Method for synthesis of flurbiprofen USTC UNIV SCIENCE TECH CN 2013-05-29 CN claimed
CN-101863826-B Method for preparing 2-benzyl pyridine compound USTC UNIV SCIENCE TECH CN 2012-11-21 CN claimed
CN-102603527-A Preparation method of functionalized aryl acetate compound USTC UNIV SCIENCE TECH CN 2012-07-25 CN claimed
CN-102285887-A Method for preparing nitro-substituted diphenylmethane and derivative thereof 2011-12-21 CN claimed
CN-102010317-A Method for synthesizing felbinac and derivatives thereof USTC UNIV SCIENCE TECH CN 2011-04-13 CN claimed
CN-102010323-A Method for synthesizing ibuprofen and analogues thereof USTC UNIV SCIENCE TECH CN 2011-04-13 CN claimed
CN-102001933-A Method for synthesizing naproxen USTC UNIV SCIENCE TECH CN 2011-04-06 CN claimed
CN-101973911-A Method for synthesizing anastrozole intermediate-2,2'-(5-methyl-1,3-phenylene)-bis-(2-methyl propionitrile) USTC UNIV SCIENCE TECH CN 2011-02-16 CN claimed
CN-101973869-A Method for synthesis of flurbiprofen USTC UNIV SCIENCE TECH CN 2011-02-16 CN claimed
CN-101863826-A Method for preparing 2-benzyl pyridine compound USTC UNIV SCIENCE TECH CN 2010-10-20 CN claimed
CN-101253144-A Process for preparing aniline SYNGENTA PARTICIPATIONS AG (CH) 2008-08-27 CN claimed
CN-1196664-C hydroformylation of allyl alcohol ARCO CHEM TECH (US) 2005-04-13 CN claimed
CN-1394197-A hydroformylation of allyl alcohol ARCO CHEM TECH (US) 2003-01-29 CN claimed