SCHEMBL5596201

SCHEMBL5596201

CC(C)(C)c1ccc(O)c(C(CP)c2cc(C(C)(C)C)ccc2O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RORC P51449 1/20 0.49
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
CYP2D6 P10635 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 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
SCHEMBL50921 0.81 RORC (0.51) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL5596186 0.79 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL11415213 0.79 RORC (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2950255 0.77 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL5166157 0.77 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL51256 0.77 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL5597005 0.76 ALDH1A1 (0.53) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2034981 0.76 RORC (0.80) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL5596681 0.76 CHRM1 (0.49) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18176654 0.76 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1

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