SCHEMBL371433

SCHEMBL371433

CC(C)c1cc(C(C)C)c(C(C)C)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
GABRA1 P14867 7/20 0.43
GABRB1 P18505 4/20 0.43
GABRB2 P47870 4/20 0.43
LMNA P02545 4/20 0.40
SLC6A2 P23975 2/20 0.40
HTR2B P41595 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
FAAH O00519 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR2C P28335 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL9064530 0.83 LMNA (0.39) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL8674666 0.81 LMNA (0.42) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL9194771 0.80 GABRA1 (0.44) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL11144707 0.80 LMNA (0.54) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL18379738 0.80 EIF4A3 (0.40) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL13220711 0.78 LMNA (0.52) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL19359598 0.78 CA1 (0.39) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL13220718 0.78 CA1 (0.39) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL29702023 0.78 GABRA1 (0.48) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL18135450 0.78 GABRA1 (0.48) CA1CA2GABRA1GABRB1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0088562-A2 Polymerisation catalyst BP Chemicals Limited (GB) 1983-09-14 EP claimed
CN-105085572-B New single phosphite ester ligand with carbonate group 赢创德固赛有限公司 2017-12-15 CN disclosed
EP-3112373-B1 NOVEL TETRADENTATE PHOSPHORUS LIGAND WITH HOSTANOX O3 GUIDE STRUCTURE EVONIK DEGUSSA GMBH (DE) 2017-08-30 EP disclosed
CN-104837851-B Asymmetric bisphosphites 赢创德固赛有限公司 2017-05-31 CN disclosed
CN-104837853-B Bisphosphite mixture and use thereof as catalyst mixture in hydroformylation 赢创德固赛有限公司 2017-05-10 CN disclosed
US-9556096-B2 Unsymmetric bisphosphite EVONIK DEGUSSA GMBH (DE) 2017-01-31 US disclosed
EP-3112373-A1 NOVEL TETRADENTATE PHOSPHORUS LIGAND WITH HOSTANOX O3 GUIDE STRUCTURE Evonik Degussa GmbH (DE) 2017-01-04 EP disclosed
CN-104854118-B Various different asymmetric diphosphite ester admixtures and as catalyst mixture purposes in hydroformylation 赢创德固赛有限公司 2016-12-14 CN disclosed
EP-2906572-B1 MIXTURES OF CONSTITUTIONAL ISOMERS OF BIPHOSPHITES EVONIK DEGUSSA GMBH (DE) 2016-11-23 EP disclosed
EP-2906573-B1 MIXTURE OF BIPHOSPHITES AND THEIR USE AS CATALYST MIXTURE FOR HYDROFORMYLATION EVONIK DEGUSSA GMBH (DE) 2016-11-23 EP disclosed
EP-0708074-A1 Process for the preparation of pyromellitic anhydride MITSUBISHI OIL CO., LTD. (JP) 1996-04-24 EP disclosed
US-5367108-A Process for the preparation of dinitro-polyalkylbenzenes BAYER AKTIENGESELLSCHAFT (DE) 1994-11-22 US disclosed
EP-0575852-A1 Process for preparing dinitro-polyalkyl-benzenes BAYER AG (DE) 1993-12-29 EP 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-0088562-A2 Polymerisation catalyst BP Chemicals Limited (GB) 1983-09-14 EP disclosed
US-4360606-A Photo-degradable polymer compositions OWENS-ILLINOIS, INC. (US) 1982-11-23 US disclosed
US-4135045-A PROCESS FOR POLYMERIZATION OF OLEFINS AND CATALYST COMPOSITION THEREFOR MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1979-01-16 US disclosed
US-4101720-A Degradable plastic OWENS-ILLINOIS, INC. (US) 1978-07-18 US disclosed
US-4048415-A TITANIUM-ALUMINUM COORDINATION CATALYSTS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JA) 1977-09-13 US disclosed
US-4005156-A Novel flame retardant compositions of matter UNIVERSAL OIL PRODUCTS COMPANY (US) 1977-01-25 US disclosed