SCHEMBL2054348

SCHEMBL2054348

C=CCc1ccc(O)c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.47
GABRB2 P47870 9/20 0.47
CNR2 P34972 4/20 0.43
CNR1 P21554 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
AKR1B1 P15121 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH2 P05091 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX5 P09917 3/20 0.41
POLB P06746 2/20 0.41
GABRB1 P18505 1/20 0.41
RXRA P19793 1/20 0.41

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
SCHEMBL5571089 0.84 GABRA1 (0.43) GABRA1GABRB2CNR2CNR1MEN1
SCHEMBL4871845 0.84 GABRA1 (0.50) GABRA1GABRB2MEN1GAAMAPT
SCHEMBL10413004 0.81 GABRA1 (0.43) GABRA1GABRB2GAAAKR1B1ALOX5
SCHEMBL6561982 0.78 ALDH1A1 (0.37) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL29399700 0.78 ALDH1A1 (0.37) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL17818498 0.76 SRD5A1 (0.41) GABRA1GABRB2CNR2CNR1MEN1
SCHEMBL932105 0.76 KLF10 (0.47) CNR2CNR1MEN1GAAMAPT
SCHEMBL2040206 0.76 GABRA1 (0.43) GABRA1GABRB2ALDH1A1HPGD
SCHEMBL11577019 0.75 MEN1 (0.50) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL11577016 0.75 MEN1 (0.50) MEN1GAAMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1069051-A The cold light pipe of a kind of chemical luminous system and system thereof DALIAN CHEMICAL PHYSICS INST (CN) 1993-02-17 CN claimed
WO-2020007945-A1 LUBRICATING COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2020-01-09 WO disclosed
CN-109477015-A Refrigerator oil and composition for refrigerator 出光兴产株式会社 2019-03-15 CN disclosed
CN-109477014-A Refrigerator oil and composition for refrigerator 出光兴产株式会社 2019-03-15 CN disclosed
CN-104371744-B Liquid crystal media 默克专利股份有限公司 2019-01-01 CN disclosed
EP-3397740-A1 LUBRICATING OIL COMPOSITION FOR DIESEL ENGINES SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) 2018-11-07 EP disclosed
CN-108431188-A Lubricant oil composite for diesel engine 国际壳牌研究有限公司 2018-08-21 CN disclosed
EP-3227414-A1 METHOD FOR REDUCING LOW SPEED PRE-IGNITION Shell Internationale Research Maatschappij B.V. (NL) 2017-10-11 EP disclosed
WO-2017114836-A1 LUBRICATING OIL COMPOSITION FOR DIESEL ENGINES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2017-07-06 WO disclosed
WO-2016087379-A1 METHOD FOR REDUCING LOW SPEED PRE-IGNITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2016-06-09 WO disclosed
WO-2007096361-A1 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-08-30 WO disclosed
CN-1678453-A Composite material and preparation method thereof DAICEL DEGUSSA LTD (JP) 2005-10-05 CN disclosed
EP-1385926-A1 LUBRICATING OIL COMPOSITION COMPRISING AN ADDITIVE COMBINATION OF A CARBOXYLIC ACID AND AN AMINE AS ANT-RUST AGENT SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2004-02-04 EP disclosed
WO-2002092735-A1 LUBRICATING OIL COMPOSITION COMPRISING AN ADDITIVE COMBINATION OF A CARBOXYLIC ACID AND AN AMINE AS ANT-RUST AGENT SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-11-21 WO disclosed
WO-2002079358-A2 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-10-10 WO disclosed
CN-1092078-A Polymer finishing process UNION CARBIDE CHEM PLASTIC (US) 1994-09-14 CN disclosed
CN-1069051-A The cold light pipe of a kind of chemical luminous system and system thereof DALIAN CHEMICAL PHYSICS INST (CN) 1993-02-17 CN disclosed
US-4767551-A OVERBASED COPPER CONTAINING COMPOUND AMOCO CORPORATION (US) 1988-08-30 US disclosed
EP-0225580-A2 Metal-containing lubricant compositions ETHYL CORPORATION (US) 1987-06-16 EP disclosed
US-4664822-A OVERBASED COMPOUND CONTAINING COPPER AMOCO CORPORATION (US) 1987-05-12 US disclosed