SCHEMBL9415558

SCHEMBL9415558

CCC(=C(c1ccc(OCC(CN2CCCC2)OC(C)=O)cc1)c1ccc(OC(=O)C2CC2)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.43
POLB P06746 3/20 0.43
RAB9A P51151 1/20 0.42
ABCB1 P08183 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAOB P27338 3/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9414951 1.00 HSD17B10 (0.47) HSD17B10GAAPOLBRAB9AABCB1
SCHEMBL9414954 1.00 HSD17B10 (0.47) HSD17B10GAAPOLBRAB9AABCB1
SCHEMBL9415553 1.00 HSD17B10 (0.47) HSD17B10GAAPOLBRAB9AABCB1
SCHEMBL9415369 0.94 HSD17B10 (0.51) HSD17B10GAAPOLBRAB9AABCB1
SCHEMBL9415362 0.94 HSD17B10 (0.51) HSD17B10GAAPOLBRAB9AABCB1
SCHEMBL9415486 0.94 HSD17B10 (0.51) HSD17B10GAAPOLBRAB9AABCB1
SCHEMBL9415482 0.94 HSD17B10 (0.51) HSD17B10GAAPOLBRAB9AABCB1
SCHEMBL9414898 0.90 HSD17B10 (0.47) HSD17B10GAAPOLBRAB9AABCB1
SCHEMBL9415029 0.90 HSD17B10 (0.47) HSD17B10GAAPOLBRAB9AABCB1
SCHEMBL9414894 0.90 HSD17B10 (0.47) HSD17B10GAAPOLBRAB9AABCB1

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