SCHEMBL9705884

SCHEMBL9705884

CCOC(=O)CCCC(CNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SYK P43405 1/20 0.47
ALDH1A1 P00352 1/20 0.43
CTSK P43235 7/20 0.42
CTSS P25774 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
TOP2A P11388 1/20 0.39

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
SCHEMBL9705410 0.88 SYK (0.46) SYKCTSKCTSS
SCHEMBL16798314 0.83 SYK (0.48) SYKCTSKCTSS
SCHEMBL7312664 0.82 MEN1 (0.50) CYP3A4CYP2D6CYP2C19SYKALDH1A1
SCHEMBL28499841 0.81 CTSK (0.48) CYP3A4CYP2D6CYP2C19ALDH1A1CTSK
SCHEMBL7305117 0.81 F2 (0.47) CYP3A4CYP2D6CYP2C19ALDH1A1CTSK
SCHEMBL7422767 0.79 SYK (0.47) SYKCTSKCTSS
SCHEMBL4583612 0.79 MAPT (0.54) SYKCTSKCTSS
SCHEMBL16680112 0.79 MAPT (0.54) SYKCTSKCTSS
SCHEMBL28008276 0.79 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL24876970 0.78 CTSK (0.47) CYP3A4CYP2D6CYP2C19ALDH1A1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220865-B1 LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HYPOTENSIVE AGENTS SANKYO COMPANY LIMITED (JP) 1992-07-29 EP disclosed
US-4734410-A Lactam derivatives and their use as hypotensive agents SANKYO COMPANY LIMITED (JP) 1988-03-29 US disclosed
EP-0220865-A2 Lactam derivatives, their preparation and their use as hypotensive agents SANKYO COMPANY LIMITED (JP) 1987-05-06 EP disclosed