SCHEMBL5596396

SCHEMBL5596396

CCCCc1cc(C)cc(P(c2cc(C)cc(CCCC)c2O)[Si](C)(c2ccccc2)c2ccccc2)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TYR P14679 2/20 0.34
MAOA P21397 1/20 0.34
TLR8 Q9NR97 1/20 0.33
APLNR P35414 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
EGFR P00533 1/20 0.31
ALOX5 P09917 2/20 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
SCHEMBL5596241 0.90 ALDH1A1 (0.34) ALDH1A1MAPTHTTSMN1; SMN2TYR
SCHEMBL5596014 0.87 NPC1 (0.36) HTTTYRTLR8HPGDCYP3A4
SCHEMBL5596187 0.83 HTT (0.40) ALDH1A1MAPTHTTSMN1; SMN2TYR
SCHEMBL5596458 0.80 NPC1 (0.39) ALDH1A1MAPTHTTKDM4EHPGD
SCHEMBL5596355 0.79 TYR (0.36) HTTTYRHPGDALOX5
SCHEMBL5596984 0.79 TYR (0.37) ALDH1A1MAPTHTTSMN1; SMN2TYR
SCHEMBL5596428 0.77 NPC1 (0.36) HTTTYRTLR8HPGDCYP3A4
SCHEMBL5596553 0.76 TYR (0.39) ALDH1A1MAPTHTTSMN1; SMN2TYR
SCHEMBL5596404 0.75 HTT (0.38) ALDH1A1MAPTHTTSMN1; SMN2TYR
SCHEMBL5596040 0.75 HTT (0.38) ALDH1A1MAPTHTTSMN1; SMN2TYR

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
US-7279537-B2 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 US disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 EP disclosed