SCHEMBL435072

SCHEMBL435072

CC[C](C)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HSD11B1 P28845 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
NAAA Q02083 1/20 0.35
SHBG P04278 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CTSK P43235 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 3/20 0.32
EPHX1 P07099 1/20 0.32
RECQL P46063 1/20 0.32
NOS2 P35228 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1192727 1.00 CES2 (0.39) CES2CES1HSD11B1CA1CA2
SCHEMBL9979433 1.00 CES2 (0.39) CES2CES1HSD11B1CA1CA2
SCHEMBL1192739 1.00 CES2 (0.39) CES2CES1HSD11B1CA1CA2
SCHEMBL1193470 0.97
SCHEMBL1193091 0.92
SCHEMBL1193149 0.88
SCHEMBL1525318 0.79 CA1 (0.38) CES2CES1HSD11B1CA1CA2
SCHEMBL7994901 0.77
SCHEMBL27736231 0.76 CA1 (0.39) CES2CES1HSD11B1CA1CA2
SCHEMBL11126950 0.75 NAAA (0.43) CES2CES1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105636692-A Hydroalkylating process comprising an activation of the hydroalkylation catalyst and method of making phenol and cyclohexanone. EXXONMOBIL CHEMICAL PATENTS INC 2016-06-01 CN claimed
US-4871761-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 US claimed
EP-0284952-A2 Substituted propylamines BAYER AG (DE) 1988-10-05 EP claimed
CN-103969952-B New compound and its manufacture method, acid agent, anti-corrosion agent composition and Resist patterns forming method 东京应化工业株式会社 2017-08-01 CN disclosed
CN-106986792-A New compound and its manufacture method, acid agent, anti-corrosion agent composition and Resist patterns forming method 东京应化工业株式会社 2017-07-28 CN disclosed
EP-3066065-A1 CATALYTIC HYDROGENATION FOR PRODUCING AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID DIAMIDES, DI-, TRI-, OR POLYPEPETIDES, OR PEPTIDE AMIDES Evonik Degussa GmbH (DE) 2016-09-14 EP disclosed
EP-2237774-B1 THE USE OF 6-HALOGENO-(1,2,4)-TRIAZOLO-(1,5-a)-PYRIMIDINE COMPOUNDS FOR COMBATING PESTS IN AND ON ANIMALS MERIAL LTD (US) 2016-06-22 EP disclosed
WO-2016087593-A1 NOVEL FUNGICIDAL QUINOLINYLAMIDINES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 WO disclosed
CN-105636692-A Hydroalkylating process comprising an activation of the hydroalkylation catalyst and method of making phenol and cyclohexanone. EXXONMOBIL CHEMICAL PATENTS INC 2016-06-01 CN disclosed
WO-2015067450-A1 CATALYTIC HYDROGENATION FOR PRODUCING AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID DIAMIDES, DI-, TRI-, OR POLYPEPETIDES, OR PEPTIDE AMIDES EVONIK INDUSTRIES AG (DE) 2015-05-14 WO disclosed
EP-1662877-B1 6-HALOGENO-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINES FOR COMBATING ANIMAL PESTS MERIAL LTD (US) 2014-12-17 EP disclosed
WO-1999007702-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed
EP-0862558-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
WO-1998038169-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed
WO-1998012182-A1 1-SULFONYL-3-PHENYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING OR DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 WO disclosed
WO-1997015559-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed
US-4871761-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 US disclosed
EP-0284952-A2 Substituted propylamines BAYER AG (DE) 1988-10-05 EP disclosed