SCHEMBL8936229

SCHEMBL8936229

Cc1ccc(C(C)(C)C)c(C=O)c1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL6346480 0.82 GABRA1 (0.32) GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10821929 0.78 ALDH1A1 (0.39) ALDH1A1TSHRPTGS1PTGS2
SCHEMBL311508 0.74 GABRA1 (0.47) GABRA1GABRB2ALDH1A1TSHRPTGS1
SCHEMBL19337408 0.73 GABRA1 (0.50) GABRA1GABRB2ALDH1A1TSHR
SCHEMBL11357992 0.73 GABRA1 (0.38) GABRA1GABRB2ALDH1A1TSHRPTGS1
SCHEMBL394894 0.72 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL10806052 0.72 CA2 (0.48) GABRA1GABRB2ALDH1A1TSHRPTGS1
SCHEMBL16628803 0.71 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL5354598 0.68 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL5352813 0.68 GABRA1 (0.34) GABRA1GABRB2

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 8 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
EP-0227455-B1 PROCESS FOR PRODUCING CATALYST INGREDIENT FOR USE IN OLEFIN POLYMERIZATION Tonen Corporation (JP) 1991-08-28 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
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
EP-0187034-A2 Process for producing poly-1-butene TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1986-07-09 EP disclosed
EP-0086644-A2 Catalyst composition and process for polymerizing olefins MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-08-24 EP disclosed