SCHEMBL8766792

SCHEMBL8766792

C[S+]([O-])C(CCCCCc1ccccc1)CC(=O)CN1CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
FAAH O00519 8/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
PTGER4 P35408 1/20 0.36
NAAA Q02083 3/20 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
SCHEMBL8767549 0.96 LMNA (0.39) LMNAFAAHNPSR1MMP3
SCHEMBL8772394 0.90 TRPA1 (0.40) TRPA1LMNATRPV1FAAHNPSR1
SCHEMBL8766870 0.81 TRPA1 (0.42) TRPA1LMNATRPV1FAAHMMP1
SCHEMBL8767268 0.80 TRPA1 (0.41) TRPA1LMNATRPV1FAAHMMP1
SCHEMBL8772426 0.78 TRPA1 (0.41) TRPA1LMNATRPV1FAAHPTGER4
SCHEMBL8767631 0.76 LMNA (0.40) LMNAFAAHNPSR1MMP3PTGER4
SCHEMBL8552278 0.71 HMOX1 (0.48) TRPA1LMNA
SCHEMBL8767413 0.70 PKM (0.37) LMNA
SCHEMBL8766432 0.66 HTT (0.40) LMNA
SCHEMBL8772451 0.65 LMNA (0.40) LMNA

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