SCHEMBL5596401

SCHEMBL5596401

Cc1ccc(O)c(P(c2cc(C)ccc2O)[Si](C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
TP53 P04637 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
ALOX12 P18054 1/20 0.43
CSNK2A1 P68400 1/20 0.41
AMY1A P0DUB6 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
IDO1 P14902 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL5595996 0.80 TRPA1 (0.39) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL5596382 0.80 TRPA1 (0.39) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL6438829 0.79 TRPA1 (0.56) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL5596910 0.77 TRPA1 (0.54) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL5596233 0.74 ALDH1A1 (0.55) TDP1ALOX15HSD17B10ALDH1A1LMNA
SCHEMBL5596257 0.73 ALDH1A1 (0.41) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL5596168 0.72 TRPA1 (0.48) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL5596679 0.72 TRPA1 (0.48) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL5596851 0.72 TRPA1 (0.48) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL5596151 0.72 ALDH1A1 (0.48) TP53TDP1ALDH1A1LMNAMEN1

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