SCHEMBL10376540

SCHEMBL10376540

CC(C)(C)OC(=O)CN1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)CSC[C@H]1c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
ALDH1A1 P00352 4/20 0.37
PKM P14618 1/20 0.37
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 3/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10376538 1.00 PLA2G10 (0.38) PLA2G10PLA2G5ALDH1A1PKMGAA
SCHEMBL9527202 0.86 PLA2G10 (0.42) PLA2G10PLA2G5ALDH1A1KDM4EDDB1
SCHEMBL9527199 0.86 PLA2G10 (0.42) PLA2G10PLA2G5ALDH1A1KDM4EDDB1
SCHEMBL10377803 0.84 ALDH1A1 (0.40) PLA2G10PLA2G5ALDH1A1PKMGAA
SCHEMBL10377805 0.84 ALDH1A1 (0.40) PLA2G10PLA2G5ALDH1A1PKMGAA
SCHEMBL10378315 0.80 PLA2G10 (0.36) PLA2G10PLA2G5ALDH1A1PKMTDP1
SCHEMBL10378471 0.80 PLA2G10 (0.36) PLA2G10PLA2G5ALDH1A1PKMTDP1
SCHEMBL10376341 0.73 ACE (0.47) TDP1KDM4E
SCHEMBL8104212 0.71 NPSR1 (0.43) SMN1; SMN2
SCHEMBL9826366 0.71 NPSR1 (0.43) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161801-B1 PERHYDROTHIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANKYO COMPANY LIMITED (JP) 1990-11-07 EP disclosed
EP-0365045-A1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1990-04-25 EP disclosed
US-4699905-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-13 US disclosed
EP-0161801-A2 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1985-11-21 EP disclosed