SCHEMBL30694672

SCHEMBL30694672

C=CCOC(=O)c1cccc(COc2ccc3cc(-c4ccc(NS(C)(=O)=O)cc4)c(=O)oc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.50
STS P08842 5/20 0.46
MAOB P27338 8/20 0.44
MAOA P21397 4/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 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
SCHEMBL31695369 0.87 PTPN7 (0.54) PTPN7STSMAOBMAOANPC1
SCHEMBL27361265 0.87 PTPN7 (0.54) PTPN7STSMAOBMAOANPC1
SCHEMBL30694638 0.86 PTPN7 (0.51) PTPN7STSMAOBMAOANPC1
SCHEMBL2110415 0.84 ALDH2 (0.53) MAOBMAOAALDH1A1GAA
SCHEMBL27362897 0.84 STS (0.49) PTPN7STSMAOBMAOANPC1
SCHEMBL30694662 0.84 STS (0.49) PTPN7STSMAOBMAOANPC1
SCHEMBL3630952 0.82 ALDH2 (0.51) MAOBMAOAALDH1A1GAA
SCHEMBL27361258 0.75 PTPN7 (0.54) PTPN7STSMAOBMAOANPC1
SCHEMBL2107287 0.74 ALDH2 (0.53) MAOBMAOAALDH1A1GAA
SCHEMBL2110738 0.73 ALDH2 (0.49) MAOBMAOAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532016-A2 ALDH2 INHIBITORS AND METHODS OF USE THEREOF University of Maryland, Baltimore (US) 2025-04-09 EP disclosed
WO-2023235753-A2 ALDH2 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-12-07 WO disclosed