SCHEMBL7054721

SCHEMBL7054721

Cc1cc2c(C3=Cc4ccccc4C3[Si](C)(C)C3C(c4cccc5[nH]c(C)cc45)=Cc4ccccc43)cccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PIK3CA P42336 3/20 0.34
PIK3R1 P27986 2/20 0.32
MTOR P42345 2/20 0.32
PRKDC P78527 2/20 0.32
ATR Q13535 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL7036428 0.77 MAPT (0.38) ALDH1A1
SCHEMBL4566729 0.75 RAB9A (0.38) CYP1A2GAARXFP1ALDH1A1
SCHEMBL5476789 0.70 CYP1A2 (0.39) CYP1A2
SCHEMBL7783128 0.70 ENPP3 (0.32) ALDH1A1
SCHEMBL1453225 0.67 CYP11B1 (0.36)
SCHEMBL11055640 0.67 RXFP1 (0.50) CYP1A2GAARXFP1ALDH1A1
SCHEMBL7053195 0.65 CYP1A2 (0.41) CYP1A2GAARXFP1ALDH1A1
SCHEMBL1453940 0.65 GPR3 (0.33)
SCHEMBL27851993 0.65 GAA (0.47) CYP1A2GAARXFP1ALDH1A1
SCHEMBL29844183 0.65 CYP19A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 EP disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 EP disclosed