SCHEMBL5089695

SCHEMBL5089695

Cc1cc(Br)c(O[Si](C)(C)C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSPA5 P11021 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 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
SCHEMBL5090066 0.88 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL1627319 0.78 CA2 (0.43) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL19322018 0.78 ACHE (0.47) SMN1; SMN2ALDH1A1CA2POLBKDM4E
SCHEMBL19322017 0.74 MAPT (0.37) ALDH1A1ALOX5APFEN1CYP2C19CYP2C9
SCHEMBL5086986 0.71 CYP2D6 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL10861334 0.71 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL5086473 0.70 CYP1A2 (0.33) ALDH1A1CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL13876762 0.69 PREP (0.31) ALDH1A1CYP3A4
SCHEMBL5086388 0.69 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29605909 0.69 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CA2POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498178-B1 Transition metal complex and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-06-11 EP disclosed
EP-1498178-A2 Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex and process for producing olefin polymers Sumitomo Chemical Company, Limited (JP) 2005-01-19 EP disclosed
EP-0842939-B1 OLEFIN POLYMERIZATION CATALYST CONTAINING A TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6329478-B1 SOLUBILITY IN SATURATED HYDROCARBON SOLVENTS SUMITMO CHEMICAL COMPANY, LIMITED 2001-12-11 US disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed