SCHEMBL9415330

SCHEMBL9415330

CCC(=C(c1ccccc1)c1ccc(OCC(CN2CCCCC2)OC(C)=O)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
ESR1 P03372 7/20 0.48
PSMB1 P20618 3/20 0.48
PSMB5 P28074 2/20 0.48
PSMB2 P49721 1/20 0.48
ABCB1 P08183 4/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
PDE1A P54750 2/20 0.45
PDE1B Q01064 2/20 0.45
PDE1C Q14123 2/20 0.45
ESR2 Q92731 1/20 0.45
MAPK1 P28482 1/20 0.45
ULK1 O75385 1/20 0.45

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
SCHEMBL9415376 1.00 HSD17B10 (0.50) HSD17B10ESR1PSMB1PSMB5PSMB2
SCHEMBL9415382 1.00 HSD17B10 (0.50) HSD17B10ESR1PSMB1PSMB5PSMB2
SCHEMBL9415325 1.00 HSD17B10 (0.50) HSD17B10ESR1PSMB1PSMB5PSMB2
SCHEMBL9415642 0.95 HSD17B10 (0.48) HSD17B10ESR1PSMB1PSMB5PSMB2
SCHEMBL9415158 0.95 HSD17B10 (0.48) HSD17B10ESR1PSMB1PSMB5PSMB2
SCHEMBL9415639 0.95 HSD17B10 (0.48) HSD17B10ESR1PSMB1PSMB5PSMB2
SCHEMBL9415152 0.95 HSD17B10 (0.48) HSD17B10ESR1PSMB1PSMB5PSMB2
SCHEMBL9415369 0.94 HSD17B10 (0.51) HSD17B10ESR1PSMB1PSMB5PSMB2
SCHEMBL9415482 0.94 HSD17B10 (0.51) HSD17B10ESR1PSMB1PSMB5PSMB2
SCHEMBL9415486 0.94 HSD17B10 (0.51) HSD17B10ESR1PSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589039-A1 TRIPHENYLETHYLENE DERIVATIVE AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1994-03-30 EP disclosed