SCHEMBL6680875

SCHEMBL6680875

CCCCc1ccc(CCC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.60
CA1 P00915 1/20 0.60
ALDH1A1 P00352 3/20 0.58
HSD17B10 Q99714 2/20 0.58
HPGD P15428 1/20 0.58
ESR1 P03372 2/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
SHBG P04278 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
HSPD1 P10809 1/20 0.56
ADRB3 P13945 1/20 0.56
HTR2C P28335 1/20 0.56

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
SCHEMBL83869 0.94 CA2 (0.65) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL5255682 0.92 ESR1 (0.67) CA2ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL9839955 0.91 CA2 (0.62) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL10568421 0.91 ALDH1A1 (0.65) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL10567097 0.91 ESR1 (0.58) CA2CA1ALDH1A1HSD17B10ESR1
Ammonia Solution, Strong SCHEMBL28990998 0.91 CA2 (0.62) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL6679954 0.89 ESR1 (0.71) CA2ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL5423819 0.89 ESR1 (0.71) CA2ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL6685475 0.89 ESR1 (0.71) CA2ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL10570294 0.88 ESR1 (0.62) ALDH1A1HSD17B10ESR1ADRA2AADORA3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995023143-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS PFIZER LIMITED (GB) 1995-08-31 WO claimed
CN-108368296-B High transparency melt polymerized polycarbonate with improved impact properties 沙特基础工业全球技术公司 2020-07-03 CN disclosed
US-9758731-B2 Process for converting phenolic compounds into aromatic hydrocarbons STUDIENGESELLSCHAFT KOHLE MBH (DE) 2017-09-12 US disclosed
US-20150315483-A1 PROCESS FOR CONVERTING PHENOLIC COMPOUNDS INTO AROMATIC HYDROCARBONS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-11-05 US disclosed
EP-2931845-A1 PROCESS FOR CONVERTING PHENOLIC COMPOUNDS INTO AROMATIC HYDROCARBONS Studiengesellschaft Kohle MbH (DE) 2015-10-21 EP disclosed
WO-2014090822-A1 PROCESS FOR CONVERTING PHENOLIC COMPOUNDS INTO AROMATIC HYDROCARBONS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2014-06-19 WO disclosed
EP-2743333-A1 Process for converting phenolic compounds into aromatic hydrocarbons Studiengesellschaft Kohle mbH (DE) 2014-06-18 EP disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5952535-A TRANSALKYLATION/DISPROPORTIONATION OF C9 MIXED AROMATICS TO A PRODUCT RICH IN TOLUENES AND XYLENES USING PALLADIUM OXIDE LOADED WITH MODERATELY DEALUMINIZED MORDENITE CATALYST AND HYDROGEN CATALYTICA, INC. (US) 1999-09-14 US disclosed
EP-0931041-A1 SELECTIVE CATALYTIC CONVERSION OF A C 9? AROMATIC FEEDSTOCK CONTAINING SUBSTANTIAL AMOUNTS OF ETHYL SUBSTITUTED AROMATIC COMPONENTS TO A PRODUCT RICH IN TOLUENE AND/OR XYLENES MITSUBISHI OIL CO., LTD. (JP) 1999-07-28 EP disclosed
WO-1998012159-A2 SELECTIVE CATALYTIC CONVERSION OF A C9 AROMATIC FEEDSTOCK CONTAINING SUBSTANTIAL AMOUNTS OF ETHYL SUBSTITUTED AROMATIC COMPONENTS TO A PRODUCT RICH IN TOLUENE AND/OR XYLENES MITSUBISHI OIL CO., LTD. (JP) 1998-03-26 WO disclosed
WO-1995023143-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS PFIZER LIMITED (GB) 1995-08-31 WO disclosed
US-5302304-A Silver-wear and copper-corrosion oil additive comprising the reaction product of a hydrazine, formic acid and fatty acid; diesel engines; boats; power sources ETHYL CORPORATION (US) 1994-04-12 US disclosed
US-5202516-A Transalkylating benzene with mixture of alkylbenzenes using acidic mordenite zeolite catalyst; separating trialkylbenzene isomers using dealuminated zeolite Y adsorbent THE DOW CHEMICAL COMPANY (US) 1993-04-13 US disclosed
EP-0310363-B1 CHLORINE-FREE SILVER PROTECTIVE LUBRICANT COMPOSITION (I) AMOCO CORPORATION (US) 1992-05-20 EP disclosed
US-4948523-A CARBOXYLIC ACID, AMINE REACTION PRODUCT AMOCO CORPORATION (US) 1990-08-14 US disclosed