SCHEMBL6131843

SCHEMBL6131843

Oc1ccc(Cl)c(CCl)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TTR P02766 1/20 0.41
TYR P14679 1/20 0.39
ESR1 P03372 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ESR2 Q92731 3/20 0.38
CAMK2A Q9UQM7 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL8738071 0.83 HSD17B10 (0.56) HSD17B10CA12CA1CA2CA7
SCHEMBL11329428 0.81 HSD17B10 (0.54) HSD17B10CA12CA1CA2CA7
SCHEMBL696050 0.81 HSD17B10 (0.54) HSD17B10CA12CA1CA2CA7
SCHEMBL23841643 0.79 HSD17B10 (0.52) HSD17B10CA12CA1CA2CA7
SCHEMBL12021260 0.79 HSD17B10 (0.52) HSD17B10CA12CA1CA2CA7
SCHEMBL11652162 0.79 HSD17B10 (0.52) HSD17B10CA12CA1CA2CA7
SCHEMBL365736 0.79 HSD17B10 (0.52) HSD17B10CA12CA1CA2CA7
SCHEMBL7494873 0.76 HSD17B10 (0.48) HSD17B10CA12CA1CA2CA7
SCHEMBL19025083 0.76 HSD17B10 (0.48) HSD17B10CA12CA1CA2CA7
SCHEMBL28770665 0.76 HSD17B10 (0.48) HSD17B10CA12CA1CA2CA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed