SCHEMBL10378356

SCHEMBL10378356

CC(C)(C)OC(=O)CN1CC(c2ccsc2)SC[C@H](N)C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.35
PLA2G5 P39877 2/20 0.35
ADORA2B P29275 3/20 0.33
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
GLA P06280 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL10376321 1.00 PLA2G10 (0.35) PLA2G10PLA2G5ADORA2BHSD17B10KDM4E
SCHEMBL10635209 0.86 PLA2G10 (0.43) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL9526436 0.86 PLA2G10 (0.43) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL10378325 0.83 PLA2G10 (0.36) PLA2G10PLA2G5ADORA2BKDM4EALDH1A1
SCHEMBL10378448 0.83 PLA2G10 (0.36) PLA2G10PLA2G5ADORA2BKDM4EALDH1A1
SCHEMBL10376315 0.82 ALDH1A1 (0.39) PLA2G10PLA2G5HSD17B10KDM4EALDH1A1
SCHEMBL10376676 0.82 ALDH1A1 (0.39) PLA2G10PLA2G5HSD17B10KDM4EALDH1A1
SCHEMBL10638447 0.82 ALDH1A1 (0.39) PLA2G10PLA2G5HSD17B10KDM4EALDH1A1
SCHEMBL9525301 0.81 KMT2A (0.41) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL10376336 0.79 PLA2G10 (0.37) PLA2G10PLA2G5ALDH1A1POLBTDP1

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