SCHEMBL58858

SCHEMBL58858

[CH2]Cc1ccc(OCC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.67
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 1/20 0.54
LTA4H P09960 2/20 0.50
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PARP10 Q53GL7 1/20 0.45
RELA Q04206 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
PRSS1 P07477 1/20 0.45

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
SCHEMBL1610396 0.82 NQO1 (0.61) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL3195193 0.82 L3MBTL1 (0.53) LTA4HMAPTLMNASMN1; SMN2MEN1
SCHEMBL2404852 0.82 LTA4H (0.53) TSHRLTA4HSMN1; SMN2CYP1A2KDM4E
1,4-Diethoxybenzene SCHEMBL27616183 0.82 NQO1 (0.88) NQO1TDP1TSHRLTA4HMAPT
1,4-Diethoxybenzene SCHEMBL124015 0.82 NQO1 (1.00) NQO1TDP1TSHRLTA4HMAPT
1,4-Diethoxybenzene SCHEMBL28186701 0.82 NQO1 (1.00) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL9664138 0.80 NQO1 (0.74) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL128504 0.80 NQO1 (0.74) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL2488793 0.80 NQO1 (0.74) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL28616323 0.80 NQO1 (0.74) NQO1TDP1TSHRLTA4HLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105287483-A Application of propionamide compounds TIANJIN INTERNAT JOINT ACADEMY OF BIOMEDICINE 2016-02-03 CN claimed
CN-105267191-A Application of propanamide compound TIANJIN INTERNAT JOINT ACADEMY OF BIOMEDICINE 2016-01-27 CN claimed
US-8450303-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 US claimed
US-8426401-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV 2013-04-23 US claimed
CN-102584829-A Pyrazole and pyrazine diketone derivative and application thereof UNIV SHANDONG 2012-07-18 CN claimed
CN-102459255-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN claimed
CN-102459240-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN claimed
EP-2421860-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421856-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
CN-101993416-A Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2011-03-30 CN claimed
US-6221875-B1 TREATING FEEDING DISORDERS, OBESITY, BULIMIA NERVOSA OR HYPERTENSION IN A MAMMAL NEUROGEN CORPORATION 2001-04-24 US claimed
WO-2000069830-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2000-11-23 WO claimed
EP-1037635-A1 COMPOUNDS AND METHODS Smithkline Beecham (US) 2000-09-27 EP claimed
WO-1999051598-A1 SUBSTITUTED 9H-PYRIDINO[2,3-b]INDOLE AND 9H-PYRIMIDINO[4,5-b]INDOLE DERIVATIVES: SELECTIVE NEUROPEPTIDE y RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-10-14 WO claimed
WO-1999017773-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-15 WO claimed
WO-1998034113-A1 COMBINATORIAL LIBRARIES OF BICYCLIC GUANIDINE DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US claimed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 WO claimed
EP-0526170-B1 Dyestuff for heat-sensitive transfer record and transfer sheet containing same MITSUI TOATSU CHEMICALS (JP) 1997-10-08 EP claimed
US-5567470-A COMPRISING A BENZO-2,1-ISOTHIAZOLE-AZO-PHENYL-TERTAMINES DYE; SOLVENT SOLUBILITY, LIGHT RESISTANCE, STORAGE STABILITY MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-10-22 US claimed