SCHEMBL1031444

SCHEMBL1031444

CC(C)c1cc[c]c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX12 P18054 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.33
TYR P14679 2/20 0.31
RNASEH1 O60930 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MDM4 O15151 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 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
SCHEMBL1068985 0.84 TRPV4 (0.31)
SCHEMBL1661090 0.83 ADRB2 (0.35)
SCHEMBL1661519 0.83 UGT2B7 (0.39)
SCHEMBL1661088 0.83 ADRB2 (0.35)
SCHEMBL1662054 0.83 ADRB2 (0.35)
SCHEMBL2015398 0.78 ABCB11 (0.41) TRPA1
SCHEMBL15067062 0.76 LMNA (0.38) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL2444018 0.74 LMNA (0.41) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL677008 0.74 LMNA (0.37) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL16736879 0.73 PTGS1 (0.43) LMNATRPA1PTGS1CACNA1CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180108947-A9 ELECTROLYTE AND LITHIUM-ION BATTERY CONTAINING THE SAME NINGDE AMPEREX TECHNOLOGY LTD. (CN) 2018-04-19 US disclosed
US-20170084956-A1 ELECTROLYTE AND LITHIUM-ION BATTERY CONTAINING THE SAME Amperex Technology Limited (CN) 2017-03-23 US disclosed
US-8969552-B2 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor AbbVie Deutschland GmbH & Co. KG (DE) 2015-03-03 US disclosed
EP-2439203-B1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBVIE DEUTSCHLAND (DE) 2014-11-19 EP disclosed
EP-2638042-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-09-18 EP disclosed
EP-1812416-B1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-08-21 EP disclosed
US-8486984-B2 Aminomethyl substituted bicyclic aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO., KG (DE) 2013-07-16 US disclosed
US-8470810-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-06-25 US disclosed
US-8383641-B2 Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-02-26 US disclosed
CN-101068801-B Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for the treatment of disorders which respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG 2012-11-14 CN disclosed
CN-101039900-A 6-amino(aza)indane compounds suitable for treating disorders that respond to modulation of the dopamine d3 receptor ABBOTT GMBH & CO KG (DE) 2007-09-19 CN disclosed
CN-101039904-A Is suitable for treating dopamine D3Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2007-09-19 CN disclosed
EP-1814849-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-08 EP disclosed
WO-2006040182-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
WO-2001090085-A2 6-METHYL-4-TRIHALOMETHYLTRIAZINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-11-29 WO disclosed
CN-1050124-C Herbicide containing oxazolidinedione derivatives SAGAMI CHEM RES (JP) 2000-03-08 CN disclosed
CN-1027069-C Process for producing oxazolidinedione derivative SAGAMI CHEM RES (JP) 1994-12-21 CN disclosed
CN-1059718-A The weedicide that contains the  oxazolidinedione derivatives SAGAMI CHEM RES (JP) 1992-03-25 CN disclosed
CN-86108416-A Oxazolidinedione derivative, process for producing the same, and herbicide containing the same 1987-07-29 CN disclosed
US-4182915-A PHENOL FROM BENZENE BY REACTION OF THALLIUM/III/ METALLATE WITH HYDROXYL DONOR HALCON INTERNATIONAL, INC. (US) 1980-01-08 US disclosed