SCHEMBL8767268

SCHEMBL8767268

CS(=O)(=O)C(CCCCCc1ccccc1)CC(=O)CN1CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
MMP1 P03956 3/20 0.39
MMP3 P08254 3/20 0.39
MMP2 P08253 2/20 0.39
LMNA P02545 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MMP9 P14780 1/20 0.37
NAAA Q02083 3/20 0.36
FAAH O00519 3/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL8766870 0.82 TRPA1 (0.42) TRPA1MMP1MMP3LMNATRPV1
SCHEMBL8766792 0.80 TRPA1 (0.40) TRPA1MMP1MMP3LMNATRPV1
SCHEMBL8772426 0.79 TRPA1 (0.41) TRPA1LMNATRPV1NAAAFAAH
SCHEMBL8772394 0.78 TRPA1 (0.40) TRPA1MMP1MMP3LMNATRPV1
SCHEMBL8767631 0.77 LMNA (0.40) MMP3MMP2LMNAFAAHPTGER4
SCHEMBL8767549 0.75 LMNA (0.39) MMP3MMP2LMNAFAAH
SCHEMBL8552278 0.72 HMOX1 (0.48) TRPA1LMNA
SCHEMBL6014700 0.69 MAOA (0.49) TRPA1PDE4APDE4BPDE4CPDE4D
SCHEMBL8767314 0.67 PKM (0.38) LMNA
SCHEMBL8766432 0.66 HTT (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