SCHEMBL9526436

SCHEMBL9526436

CC(C)(C)OC(=O)CN1CC(c2ccccc2)SCC(N)C1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.43
PLA2G5 P39877 2/20 0.43
RIPK1 Q13546 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CCKBR P32239 1/20 0.35

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
SCHEMBL10635209 1.00 PLA2G10 (0.43) PLA2G10PLA2G5RIPK1KDM4EALDH1A1
SCHEMBL9525301 0.88 KMT2A (0.41) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL10376321 0.86 PLA2G10 (0.35) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL10378356 0.86 PLA2G10 (0.35) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL10638447 0.84 ALDH1A1 (0.39) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL10376676 0.84 ALDH1A1 (0.39) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL10376315 0.84 ALDH1A1 (0.39) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL9526498 0.84 KMT2A (0.40) PLA2G10PLA2G5CCKBR
SCHEMBL7341629 0.84 FDFT1 (0.38)
SCHEMBL7341637 0.84 FDFT1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365045-B1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1993-12-01 EP disclosed
EP-0365045-A1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1990-04-25 EP disclosed
US-4778790-A HYPOTENSIVE AGENTS SANKYO COMPANY LIMITED (JP) 1988-10-18 US disclosed
US-4699905-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-13 US disclosed
EP-0240366-A2 Perhydrothiazepine and perhydroazepine derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1987-10-07 EP disclosed
EP-0161801-A2 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1985-11-21 EP disclosed