SCHEMBL4650752

SCHEMBL4650752

CCc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.59
RAB9A P51151 1/20 0.57
F2 P00734 1/20 0.55
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
MGLL Q99685 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HIF1A Q16665 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL12736312 0.96 CYP2A6 (0.54) CYP2A6RAB9AF2ALDH1A1MAPT
SCHEMBL11742330 0.90 MAPT (0.54) CYP2A6RAB9AF2ALDH1A1MAPT
SCHEMBL4650974 0.90 MAPT (0.54) CYP2A6RAB9AF2ALDH1A1MAPT
SCHEMBL9758798 0.90 MAPT (0.54) CYP2A6RAB9AF2ALDH1A1MAPT
SCHEMBL16848589 0.89 F2 (0.56) RAB9AF2ALDH1A1MAPTMGLL
SCHEMBL8496209 0.88 ALDH1A1 (0.58) F2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL29038955 0.88 ALDH1A1 (0.58) F2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL12726669 0.88 KMT2A (0.61) RAB9AALDH1A1MAPTMGLLCYP1A2
SCHEMBL11338436 0.88 KMT2A (0.61) RAB9AALDH1A1MAPTMGLLCYP1A2
SCHEMBL9975757 0.88 F2 (0.55) RAB9AF2ALDH1A1MAPTMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118853680-A Novel DNA nucleic acid aptamer molecule, and compound and application thereof 华东理工大学 2024-10-29 CN claimed
CN-118853682-A Novel DNA nucleic acid aptamer molecule, and compound and application thereof 华东理工大学 2024-10-29 CN claimed
CN-114211925-A Self-powered active suspension single-head oil cylinder equal-damping equal-inertia-capacity oil way and working method thereof 尨腾汽车科技(南京)有限公司 2022-03-22 CN claimed
EP-3022273-B1 LIQUID CRYSTAL POLYMER COMPOSITION, METHOD FOR PREPARING SAME, AND LIQUID CRYSTAL ARTICLE COMPRISING SAME SAINT GOBAIN (FR) 2018-04-11 EP claimed
EP-3022273-A1 LIQUID CRYSTAL POLYMER COMPOSITION, METHOD FOR PREPARING SAME, AND LIQUID CRYSTAL ARTICLE COMPRISING SAME Saint-Gobain Glass France (FR) 2016-05-25 EP claimed
WO-2015007218-A1 LIQUID CRYSTAL POLYMER COMPOSITION, METHOD FOR PREPARING SAME, AND LIQUID CRYSTAL ARTICLE COMPRISING SAME SAINT-GOBAIN GLASS FRANCE (FR) 2015-01-22 WO claimed
CN-104293359-A Liquid crystal polymer composition, preparation method thereof and liquid crystal product containing the same SAINT GOBAIN 2015-01-21 CN claimed
EP-1599562-B9 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2008-09-24 EP claimed
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 US claimed
EP-1599562-B1 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2007-05-16 EP claimed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US claimed
EP-1599562-A2 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES Nemoptic (FR) 2005-11-30 EP claimed
US-20040188654-A1 Nematic liquid crystal mixtures for bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2004-09-30 US claimed
WO-2004077390-A2 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2004-09-10 WO claimed
US-RE37270-E1 EXCELLENT ELECTRO-OPTIC STEEPNESS AND VIEWING ANGLE COMBINED WITH BIREFRINGENCE FOR USE IN STANDARD DISPLAY CELLS; MIXTURE OF 4-CYANO-3-FLUOROPHENYL BENZOATES, BENZONITRILES, ALKYLPHENYL ESTERS OF CYCLOHEXANE OR PHENYLCARBOXYLIC ACIDS MERCK PATENT GESELLSCHAFT (DE) 2001-07-10 US claimed
EP-0285617-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1991-12-27 EP claimed
US-4886621-A ACCEPTABLE COMBINATION OF THRESHOLD STEEPNESS, VIEWING ANGLE AND TEMPERATURE DEPENDENCE AT LOW THRESHOLD VOLTAGE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-12-12 US claimed
US-4364838-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1982-12-21 US claimed
JP-54119379-A None JP disclosed
JP-S54119379-A NEMATIC LIQUID CRYSTAL COMPOSITION SEIKO EPSON CORP 1979-09-17 JP disclosed