SCHEMBL8766468

SCHEMBL8766468

CCCCCCSC(CC(=O)CN1CCC1=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
HTT P42858 1/20 0.37
SOAT2 O75908 1/20 0.37
ACAT1 P24752 1/20 0.37
SOAT1 P35610 1/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYSLTR2 Q9NS75 5/20 0.35
CYSLTR1 Q9Y271 5/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CHRM3 P20309 1/20 0.35
NAAA Q02083 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL8767339 0.96 HTT (0.38) PKMHTTLMNANPC1RAB9A
SCHEMBL8766432 0.81 HTT (0.40) HTTLMNANPC1RAB9AADRA1D
SCHEMBL8772451 0.81 LMNA (0.40) PKMHTTLMNA
SCHEMBL9109323 0.77 CYSLTR2 (0.47) SOAT2ACAT1SOAT1CYSLTR2CYSLTR1
SCHEMBL9109873 0.77 CYSLTR2 (0.47) SOAT2ACAT1SOAT1CYSLTR2CYSLTR1
SCHEMBL8767579 0.77 PKM (0.40) PKMHTTLMNAADRA1DADRA1A
SCHEMBL8767314 0.75 PKM (0.38) PKMHTTLMNAADRA1DADRA1A
SCHEMBL8767413 0.74 PKM (0.37) PKMHTTLMNAADRA1DADRA1A
SCHEMBL14602856 0.74 PDPK1 (0.51) SOAT2ACAT1SOAT1NPC1CYSLTR2
SCHEMBL28937529 0.74 PDPK1 (0.51) SOAT2ACAT1SOAT1NPC1CYSLTR2

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
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed