SCHEMBL8772394

SCHEMBL8772394

O=C(CC(CCCCCc1ccccc1)[S+]([O-])Cc1ccccc1)CN1CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
PTGER4 P35408 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
NAAA Q02083 3/20 0.35
FAAH O00519 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL8766792 0.90 TRPA1 (0.40) TRPA1PTGER4TRPV1NAAAFAAH
SCHEMBL8767549 0.85 LMNA (0.39) FAAHLMNANPSR1MMP3
SCHEMBL8766870 0.79 TRPA1 (0.42) TRPA1PTGER4TRPV1NAAAFAAH
SCHEMBL8772426 0.78 TRPA1 (0.41) TRPA1PTGER4TRPV1NAAAFAAH
SCHEMBL8767268 0.78 TRPA1 (0.41) TRPA1PTGER4TRPV1NAAAFAAH
SCHEMBL8767631 0.74 LMNA (0.40) PTGER4FAAHLMNANPSR1MMP3
SCHEMBL8552278 0.71 HMOX1 (0.48) TRPA1LMNA
SCHEMBL8767413 0.68 PKM (0.37) LMNA
SCHEMBL8772451 0.65 LMNA (0.40) LMNA
SCHEMBL8766432 0.63 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed