SCHEMBL6896884

SCHEMBL6896884

CCCCc1cccc(C)c1[O]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
CTRC Q99895 1/20 0.37
IAPP P10997 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL201763 0.87 BID (0.44) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL581645 0.81 GABRA1 (0.48) PTGS2CYP3A4TAAR1
SCHEMBL8975306 0.79 TAAR1 (0.43) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL9734513 0.79 CYSLTR2 (0.42) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL630180 0.79 LIPG (0.41) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL201161 0.79 LIPG (0.55) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL199707 0.79 LIPG (0.55) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5499255 0.79 TAAR1 (0.58) LIPGCYP3A4CYP2D6CYP2C9TAAR1
SCHEMBL475603 0.79 TAAR1 (0.58) LIPGCYP3A4CYP2D6CYP2C9TAAR1
SCHEMBL29981544 0.79 TAAR1 (0.58) LIPGCYP3A4CYP2D6CYP2C9TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107286074-B 3- hydroxyl iso-indoles -1- ketone derivatives and preparation method thereof 厦门华厦学院 2019-08-20 CN disclosed
CN-107286074-A Ketone derivatives of 3 hydroxyl iso-indoles 1 and preparation method thereof 厦门华厦学院 2017-10-24 CN disclosed
CN-104011083-A Polymerization method using surfactant-containing particle SUMITOMO CHEMICAL CO 2014-08-27 CN disclosed
CN-102603951-B Process for producing Ethylene-alpha-olefin copolymer SUMITOMO CHEMICAL CO 2014-07-16 CN disclosed
CN-101519469-B Diene polymer and production process thereof SUMITOMO CHEMICAL CO 2013-06-12 CN disclosed
CN-102924633-A Olefin polymer producing method, ethylene polymer, and mold product SUMITOMO CHEMICAL CO 2013-02-13 CN disclosed
CN-101255214-B Diene polymer and process for producing the same SUMITOMO CO LTD 2013-01-02 CN disclosed
CN-101977942-B Prepolymerization catalyst component and process for producing the same SUMITOMO CHEMICAL CO 2012-11-21 CN disclosed
CN-1680394-B Process for producing compound, catalyst component, process for producing catalyst, and process for producing addition polymer SUMITOMO CO LTD 2012-11-21 CN disclosed
CN-101945901-B Ethylene homopolymer SUMITOMO CHEMICAL CO 2012-09-26 CN disclosed
WO-2001021634-A1 BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-29 WO disclosed
WO-2001014879-A1 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-01 WO disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP disclosed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP disclosed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO disclosed