SCHEMBL5086473

SCHEMBL5086473

CC(C)(C)c1cc(Br)c(O[Si](C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 0.82 SMN1; SMN2 (0.39) CYP1A2CYP2C19HIF1ACYP2D6CYP2C9
SCHEMBL3770921 0.79 CA2 (0.42) CYP1A2CYP2C19HIF1ACYP2D6CYP2C9
SCHEMBL3820152 0.77 ALDH1A1 (0.33) HIF1AGABBR2GABBR1ALDH1A1HSP90AA1
SCHEMBL1826724 0.77 PTGDR2 (0.33) CYP1A2ALDH1A1ALOX15
SCHEMBL28777835 0.76 CYP1A2 (0.33) CYP1A2CYP2C19HIF1ACYP2D6CYP2C9
SCHEMBL27511575 0.76 CYP1A2 (0.33) CYP1A2CYP2C19HIF1ACYP2D6CYP2C9
SCHEMBL5085779 0.76 GABBR2 (0.31) GABBR2GABBR1
SCHEMBL6605780 0.75 RXRA (0.42) CYP1A2CYP2C19HIF1ACYP2D6CYP2C9
SCHEMBL29498841 0.75 RXRA (0.42) CYP1A2CYP2C19HIF1ACYP2D6CYP2C9
SCHEMBL6033258 0.72 ALDH1A1 (0.36) CYP1A2CYP2C19HIF1ACYP2D6CYP2C9

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