SCHEMBL5596233

SCHEMBL5596233

CC(C)(C)c1ccc(O)c(P(c2cc(C(C)(C)C)ccc2O)[Si](C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
ALOX15 P16050 3/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
PKM P14618 2/20 0.50
RECQL P46063 1/20 0.50
CYP2D6 P10635 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.40
TYR P14679 2/20 0.40
SIRT1 Q96EB6 1/20 0.40
ESR1 P03372 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL5596026 0.82 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596647 0.82 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596191 0.80 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5597007 0.78 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596196 0.76 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596680 0.76 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596154 0.74 ALDH1A1 (0.47) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596401 0.74 TRPA1 (0.50) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596113 0.73 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5596033 0.73 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10HPGDTDP1

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