SCHEMBL27369469

SCHEMBL27369469

CCC(C)c1cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
GPR35 Q9HC97 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 3/20 0.45
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
RORC P51449 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL27702548 0.88 MAPT (0.55) MAPTGPR35MAPK1SMN1; SMN2ALDH1A1
SCHEMBL8041378 0.84 SMN1; SMN2 (0.51) MAPTGPR35MAPK1SMN1; SMN2ALDH1A1
SCHEMBL27702400 0.82 MAPT (0.56) MAPTGPR35MAPK1SMN1; SMN2ALDH1A1
SCHEMBL27524163 0.79 MAPT (0.59) MAPTGPR35MAPK1SMN1; SMN2ALDH1A1
SCHEMBL27683364 0.79 MAPT (0.52) MAPTGPR35MAPK1SMN1; SMN2ALDH1A1
SCHEMBL28063255 0.78 TDP1 (0.43) MAPTGPR35MAPK1SMN1; SMN2TP53
SCHEMBL10934809 0.78 ALDH1A1 (0.49) MAPTGPR35MAPK1SMN1; SMN2ALDH1A1
SCHEMBL27685661 0.76 GAA (0.66) MAPTGPR35MAPK1SMN1; SMN2ALDH1A1
SCHEMBL27725717 0.76 MAPT (0.59) MAPTGPR35MAPK1SMN1; SMN2ALDH1A1
SCHEMBL27683381 0.75 MAPT (0.55) MAPTGPR35MAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447298-B The preparation method of Benzoyl chloride SHANDONG KAISHENG NEW MATERIALS CO., LTD. (CN) 2016-03-30 CN claimed
CN-102942672-B A kind of polyester-polyether type polyurethane acrylate and synthetic method thereof YANTAI DARBOND TECHNOLOGY CO., LTD. (CN) 2016-03-02 CN claimed
CN-105348130-A Preparation method of N,N-dimethyl propyl acrylamide TIANJIN JIURI NEW MATERIALS CO LTD 2016-02-24 CN claimed
CN-104447182-B Can Magneto separate solid phase stopper and preparation method thereof and application TIANJIN UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2016-02-10 CN claimed
CN-105296027-A Gasoline octane value booster and preparation method thereof XI AN JIAHONG PETROCHEMICAL TECHNOLOGY CO LTD 2016-02-03 CN claimed
CN-104974129-A Extraction agent for separating high-boiling-point component generated in production process of 4,4-dimethyl-1,3-dioxane and application of extraction agent CHINA PETROLEUM & CHEMICAL 2015-10-14 CN claimed
CN-104974130-A Method for separating and preparing 4,4-dimethyl-1,3-dioxane CHINA PETROLEUM & CHEMICAL 2015-10-14 CN claimed
CN-104744206-A Method for extractive distillation recovery of styrene from pyrolysis gasoline C8 fraction CHINA PETROLEUM & CHEMICAL 2015-07-01 CN claimed
CN-103664498-B Method for separating styrene from hydrocarbon mixture by extractive distillation CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104513160-A Synthesis method of monoethyl methacrylate polyoxypropylene ether alcohol YIXING ZHIBO ADVANCED MATERIAL TECHNOLOGY CO LTD 2015-04-15 CN claimed
CN-101044106-A Sulfonated phenols and nitrophenols as polymerization inhibitors CHEMTURA CORP (US) 2007-09-26 CN claimed
CN-101031528-A Sulfonated nitrophenols as polymerization inhibitors CHEMTURA CORP (US) 2007-09-05 CN claimed
CN-1962572-A Polymerization inhibitor CHINA PETROLEUM & CHEMICAL (CN) 2007-05-16 CN claimed
CN-1962582-A Process for prohibiting polymerization of styrene CHINA PETROLEUM & CHEMICAL (CN) 2007-05-16 CN claimed
CN-1939951-A Production of aryl-alkyl-substituted hydroxy-benzoic acid resin multivalent metal salt RUIFENG CHEMICAL CO LTD XINXIA (CN) 2007-04-04 CN claimed
CN-1230492-C Compositions and methods for inhibiting polymerization and polymer growth UNIROYAL CHEM CO INC (US) 2005-12-07 CN claimed
CN-1427809-A Nitroaromatic solubilizers for nitroxyl compounds in aromatic solvents UNIROYAL CHEM CO INC (US) 2003-07-02 CN claimed
CN-1411499-A Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEM CO INC (US) 2003-04-16 CN claimed
CN-1041513-C Inhibiting polymerization of vinyl aromatic monomers CIBA GEIGY AG (CH) 1999-01-06 CN claimed
CN-1084155-A The resistance of vi-ny l aromatic monomers is poly- CIBA GEIGY AG (US) 1994-03-23 CN claimed