SCHEMBL8936223

SCHEMBL8936223

Cc1ccc(C(C)(C)C)c(C(=O)c2c(C(C)(C)C)ccc(C)c2C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA2 P00918 2/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
ALOX5 P09917 1/20 0.31
HDAC1 Q13547 1/20 0.31
LMNA P02545 1/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8730751 0.75 GLRA3 (0.41) GLRA3GLRBCYP1A2CA2LMNA
SCHEMBL11357992 0.73 GABRA1 (0.38) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL285281 0.72 GABRA1 (0.54) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL29636322 0.72 GABRA1 (0.54) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL394894 0.72 GABRA1 (0.34) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
Potassium SCHEMBL29477979 0.71 GABRA1 (0.52) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL29477944 0.71 GABRA1 (0.52) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL128936 0.68 GABRA1 (0.54) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL38656859 0.68 GABRA1 (0.54) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL5354591 0.68 GABRA1 (0.34) GABRA1GABRB2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583188-A USING TITANIUM, ORGANOALUMINUM, NITROGEN OR OXYGEN HETEROCYCLE CONTAINING CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
US-5177043-A α-olefin polymerization catalyst component TONEN CHEMICAL CORPORATION (JP) 1993-01-05 US disclosed
EP-0227455-B1 PROCESS FOR PRODUCING CATALYST INGREDIENT FOR USE IN OLEFIN POLYMERIZATION Tonen Corporation (JP) 1991-08-28 EP disclosed
EP-0439622-A1 CATALYTIC COMPONENT FOR ALPHA-OLEFIN POLYMERIZATION Tonen Corporation (JP) 1991-08-07 EP disclosed
US-4754006-A Process for producing catalyst ingredient for use in olefin polymerization TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1988-06-28 US disclosed
US-4737481-A COORDINATION CATALYST CONTAINING MAGNESIUM DIALCOHOLATES, SILICON DI- OR TRI-HALIDES, TITANIUM HALIDES, ELECTRON DONORS TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1988-04-12 US disclosed
US-4711940-A COORDINATION CATALYST TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1987-12-08 US disclosed
EP-0227455-A2 Process for producing catalyst ingredient for use in olefin polymerization Tonen Corporation (JP) 1987-07-01 EP disclosed
EP-0086644-B1 CATALYST COMPOSITION AND PROCESS FOR POLYMERIZING OLEFINS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-05-06 EP disclosed
US-4654318-A COORDINATION CATALYST TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1987-03-31 US disclosed
EP-0187034-A2 Process for producing poly-1-butene TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1986-07-09 EP disclosed
EP-0157472-A1 Process for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-10-09 EP disclosed
EP-0156512-A1 Process for preparing catalyst component for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-10-02 EP disclosed
EP-0086644-A2 Catalyst composition and process for polymerizing olefins MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-08-24 EP disclosed