SCHEMBL5596176

SCHEMBL5596176

Cc1cc(C)c(P(c2cc(C(C)(C)C)ccc2O)c2cc(C(C)(C)C)ccc2O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ESR1 P03372 5/20 0.42
CYP2D6 P10635 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
HSD17B2 P37059 2/20 0.37
ESR2 Q92731 3/20 0.37
AR P10275 2/20 0.36
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL5596101 0.81 TP53 (0.54) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL5596982 0.74 TDP1 (0.39) ALDH1A1MAPTMEN1GAARECQL
SCHEMBL5596033 0.73 ALDH1A1 (0.50) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL5596191 0.73 ALDH1A1 (0.59) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL171132 0.72 ESR1 (0.74) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL31621104 0.72 ESR1 (0.74) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL5597007 0.72 ALDH1A1 (0.57) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL31043326 0.71 ALDH1A1 (0.52) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL5596233 0.70 ALDH1A1 (0.55) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL5596113 0.70 ALDH1A1 (0.50) ALDH1A1MAPTMEN1GAAPKM

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