SCHEMBL5596451

SCHEMBL5596451

CC(P)(c1ccc2ccccc2c1O)c1ccc2ccccc2c1O

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
HIF1A Q16665 1/20 0.56
PTPN22 Q9Y2R2 1/20 0.50
LDHA P00338 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL22473836 0.84 HSD17B10 (0.59) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL2220947 0.84 HSD17B10 (0.59) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL8384856 0.79 HSD17B10 (0.59) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL20340743 0.78 CYP1A2 (0.53) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5596069 0.78 HSD17B10 (0.67) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL17722824 0.78 CYP1A2 (0.53) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL23861465 0.77 CYP1A2 (0.51) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL17899124 0.77 HPGD (0.56) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL7304753 0.76 HSD17B10 (0.59) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL11954780 0.75 CYP1A2 (0.58) HSD17B10CYP1A2CYP2D6CYP2C9HPGD

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