SCHEMBL10588609

SCHEMBL10588609

COC(=O)CCSc1ccccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ HSD17B10 Q99714 5/20 0.46
▸ POLB P06746 2/20 0.46
▸ GSTP1 P09211 1/20 0.44
▸ GSTM2 P28161 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CFTR P13569 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL19704645 0.86 GSTP1 (0.40) LMNAHSD17B10POLBGSTP1GSTM2
SCHEMBL8675041 0.81 APOBEC3G (0.46) LMNAHSD17B10POLBGSTP1GSTM2
SCHEMBL7776841 0.81 HSD17B10 (0.72) LMNAHSD17B10POLBALDH1A1MAPT
SCHEMBL15123545 0.80 ABL1 (0.48) LMNAHSD17B10POLBGSTP1GSTM2
SCHEMBL2116085 0.80 CYP1A2 (0.54) LMNAHSD17B10POLBGSTP1GSTM2
SCHEMBL5300204 0.79 KDM4E (0.54) LMNAHSD17B10POLBGSTP1GSTM2
SCHEMBL22226782 0.79 MAPT (0.50) LMNAHSD17B10GSTP1GSTM2ALDH1A1
SCHEMBL9701297 0.79 MEN1 (0.54) HSD17B10POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL28897181 0.77 CYP1A2 (0.59) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL8158427 0.75 HSD17B10 (0.49) HSD17B10POLBALDH1A1MAPTNPC1

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-0342902-A2 2-Hydroxy-propanoic acid acyclic alkyl esters for benzothiazepines MARION LABORATORIES, INC. (a Delaware corporation) (US) 1989-11-23 — — EP claimed
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