SCHEMBL9415461

SCHEMBL9415461

CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC(CN2CCCC2)OC(C)=O)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
ABCB1 P08183 3/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
CYP2D6 P10635 1/20 0.43
ESR1 P03372 4/20 0.43
MAOB P27338 3/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.41
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
SCHEMBL9415465 1.00 HSD17B10 (0.50) HSD17B10POLBGAAABCB1KMT2A
SCHEMBL9415175 1.00 HSD17B10 (0.50) HSD17B10POLBGAAABCB1KMT2A
SCHEMBL9415179 1.00 HSD17B10 (0.50) HSD17B10POLBGAAABCB1KMT2A
SCHEMBL9415482 0.94 HSD17B10 (0.51) HSD17B10POLBGAAABCB1KMT2A
SCHEMBL9415486 0.94 HSD17B10 (0.51) HSD17B10POLBGAAABCB1KMT2A
SCHEMBL9415369 0.94 HSD17B10 (0.51) HSD17B10POLBGAAABCB1KMT2A
SCHEMBL9415362 0.94 HSD17B10 (0.51) HSD17B10POLBGAAABCB1KMT2A
SCHEMBL9415382 0.93 HSD17B10 (0.50) HSD17B10POLBGAAABCB1ESR1
SCHEMBL9415325 0.93 HSD17B10 (0.50) HSD17B10POLBGAAABCB1ESR1
SCHEMBL9415330 0.93 HSD17B10 (0.50) HSD17B10POLBGAAABCB1ESR1

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