SCHEMBL4743375

SCHEMBL4743375

O=C(NC(=O)N(C(=O)O)C1CCC1)Nc1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.53
ALDH1A1 P00352 7/20 0.53
HSD17B10 Q99714 7/20 0.53
ALOX15 P16050 5/20 0.53
GFER P55789 4/20 0.53
HPGD P15428 4/20 0.53
GAA P10253 15/20 0.49
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
RAB9A P51151 5/20 0.47
HTT P42858 4/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 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
SCHEMBL4739923 0.82 GAA (0.48) MAPTALDH1A1HSD17B10ALOX15GFER
SCHEMBL23200078 0.72 ALDH1A1 (0.51) MAPTALDH1A1HSD17B10ALOX15GFER
SCHEMBL9547640 0.71 GAA (0.72) MAPTALDH1A1HSD17B10ALOX15GFER
SCHEMBL4742481 0.70 LMNA (0.51) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL6505186 0.69 GAA (0.57) MAPTALDH1A1HSD17B10ALOX15GFER
SCHEMBL4683620 0.68 MEN1 (0.59) MAPTALDH1A1HSD17B10ALOX15GFER
SCHEMBL12858748 0.66 ALDH1A1 (1.00) MAPTALDH1A1HSD17B10ALOX15GFER
SCHEMBL5048583 0.66 GAA (0.47) MAPTALDH1A1HSD17B10ALOX15GFER
Benzene SCHEMBL29129490 0.66 GAA (0.58) MAPTALDH1A1HSD17B10ALOX15GFER
SCHEMBL418428 0.66

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
WO-2008095058-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO. LTD. (TW) 2008-08-07 WO disclosed