SCHEMBL8767579

SCHEMBL8767579

CCCCCC[S+]([O-])C(CC(=O)CN1CCC1=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.35
CHRM3 P20309 1/20 0.34
NAAA Q02083 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
HTT P42858 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP14 P50281 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
UGCG Q16739 1/20 0.33
DRD3 P35462 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MEN1 O00255 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
SCHEMBL8767413 0.96 PKM (0.37) PKMLMNAHTTDRD3ADRA1D
SCHEMBL8772395 0.82 LMNA (0.39) PKMLMNAHTTADRA1DADRA1A
SCHEMBL8766787 0.82 HTT (0.39) LMNAHTTADRA1DADRA1AADRA1B
SCHEMBL8766468 0.77 PKM (0.41) PKMLMNACHRM3NAAAHTT
SCHEMBL8767339 0.74 HTT (0.38) PKMLMNAHTTADRA1DADRA1A
SCHEMBL8767314 0.73 PKM (0.38) PKMLMNAHTTADRA1DADRA1A
SCHEMBL8766792 0.71 TRPA1 (0.40) LMNANAAAMMP9MMP1MMP3
SCHEMBL8767549 0.70 LMNA (0.39) LMNAMMP2MMP3
SCHEMBL8766856 0.69 HTT (0.39) LMNAHTTADRA1DADRA1AADRA1B
SCHEMBL8772394 0.69 TRPA1 (0.40) LMNANAAAMMP9MMP1MMP3

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 claimed