SCHEMBL594125

SCHEMBL594125

COc1cccc2cc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.56
AHR P35869 1/20 0.50
KEAP1 Q14145 1/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 1/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
PDPK1 O15530 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PSMB8 P28062 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
Ethylene SCHEMBL11083361 0.85 TDP1 (0.55) BCHEAHRKEAP1HTR2AHTR2C
SCHEMBL31711166 0.82 BCHE (0.41) BCHEHTR2ACA12CA1CA2
SCHEMBL9117851 0.80 KEAP1 (0.57) BCHEKEAP1PDPK1CA12CA1
SCHEMBL28307887 0.79 BCHE (0.51) BCHEAHRKEAP1HTR2AHTR2C
SCHEMBL20049021 0.79 BCHE (0.51) BCHEAHRKEAP1HTR2AHTR2C
SCHEMBL593890 0.79 BCHE (0.54) BCHEAHRKEAP1NR3C1PGR
SCHEMBL3789623 0.79 BCHE (0.51) BCHEAHRKEAP1HTR2AHTR2C
SCHEMBL593067 0.79 BCHE (0.55) BCHEAHRKEAP1NR3C1PGR
SCHEMBL837560 0.78 BCHE (0.48) BCHEAHRKEAP1HTR2AHTR2C
SCHEMBL10769198 0.77 BCHE (0.70) BCHEAHRKEAP1NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118948864-A Composition for relieving stomach ache from lilac flower, preparation and application thereof 内蒙古农业大学 2024-11-15 CN claimed
CN-118125960-A Bisindole 3-ketone compound, application and preparation method thereof 云南农业大学 2024-06-04 CN claimed
CN-116535403-A Beta-carbopol derivative and preparation method, pharmaceutical composition and application thereof 沈阳药科大学 2023-08-04 CN claimed
CN-114394963-B Isoxazoline compound, preparation method and application 西北农林科技大学 2023-05-23 CN claimed
CN-115650898-A Synthesis method of 2-substituted 7-methoxy-tryptophol derivative 华南理工大学 2023-01-31 CN claimed
CN-114940979-A Method for improving cation-pi interaction by genetic code expansion and application 浙江大学 2022-08-26 CN claimed
CN-110117246-B Preparation method of 3-position indolylated cyclohexenone compound 山西大学 2022-05-31 CN claimed
CN-113527254-B 7-methoxy-1H-indole compound, preparation method, pharmaceutical composition and application 北京华氏信华科生物科技有限公司 2022-05-03 CN claimed
CN-112144074-B Method for preparing dibit bromoindole by using electrochemical microchannel device 南京先进生物材料与过程装备研究院有限公司 2021-12-03 CN claimed
CN-113527254-A 7-methoxy-1H-indole compound, preparation method, pharmaceutical composition and application 北京华氏信华科生物科技有限公司 2021-10-22 CN claimed
CN-107312035-B The synthetic method of triaryl phosphine 南京理工大学 2019-05-07 CN claimed
CN-108659094-A A kind of synthetic method of mycoleptodiscin A 哈尔滨工业大学(威海) 2018-10-16 CN claimed
WO-2018009832-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE STERNSON SCOTT (US) 2018-01-11 WO claimed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
US-9486892-B2 Polishing composition FUJIMI INCORPORATED (JP) 2016-11-08 US claimed
US-7847152-B2 Use of tryptophan indole and anthranilate analogs as plant transformation selection agents THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-12-07 US claimed
US-20080028488-A1 USE OF TRYPTOPHAN INDOLE AND ANTHRANILATE ANALOGS AS PLANT TRANSFORMATION SELECTION AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-01-31 US claimed
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP claimed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP claimed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO claimed