SCHEMBL8772426

SCHEMBL8772426

O=C(CC(CCCCCc1ccccc1)SCc1ccccc1)CN1CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
FAAH O00519 5/20 0.38
NAAA Q02083 4/20 0.38
PTGER4 P35408 1/20 0.38
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 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 0.88 TRPA1 (0.42) TRPA1TRPV1FAAHNAAAPTGER4
SCHEMBL8767631 0.84 LMNA (0.40) FAAHPTGER4LMNA
SCHEMBL8767268 0.79 TRPA1 (0.41) TRPA1TRPV1FAAHNAAAPTGER4
SCHEMBL8766792 0.78 TRPA1 (0.40) TRPA1TRPV1FAAHNAAAPTGER4
SCHEMBL8772394 0.78 TRPA1 (0.40) TRPA1TRPV1FAAHNAAAPTGER4
SCHEMBL8772451 0.78 LMNA (0.40) LMNA
SCHEMBL8767549 0.73 LMNA (0.39) FAAHLMNA
SCHEMBL8552278 0.72 HMOX1 (0.48) TRPA1LMNA
SCHEMBL6823573 0.72 HDAC1 (0.56)
SCHEMBL8772367 0.67 LMNA (0.43) 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