SCHEMBL8639596

SCHEMBL8639596

Cc1ccc(C(C)C)cc1C(C[N+](C)(C)C)OP(O)(=S)S

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
BCHE P06276 4/20 0.35
ACHE P22303 4/20 0.35
LMNA P02545 1/20 0.34
TYR P14679 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
SCHEMBL8639594 0.87 LMNA (0.34) TRPA1PTGS1CACNA1CBCHEACHE
SCHEMBL8154407 0.86 TRPA1 (0.37) TRPA1PTGS1CACNA1CBCHEACHE
SCHEMBL8140900 0.85 POLB (0.31)
SCHEMBL8148419 0.84 BCHE (0.39) TRPA1PTGS1CACNA1CBCHEACHE
SCHEMBL8645772 0.84 TRPA1 (0.36) TRPA1PTGS1CACNA1CBCHEACHE
SCHEMBL8140444 0.82 BCHE (0.38) TRPA1PTGS1CACNA1CBCHEACHE
SCHEMBL8643387 0.81 ESR1 (0.35)
SCHEMBL8140864 0.80 HDAC4 (0.33) TYR
SCHEMBL8153294 0.79 GABRA1 (0.33) PTGS1LMNA
SCHEMBL8147911 0.78 TRPA1 (0.37) TRPA1LMNA

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
US-5804569-A ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT CLARION PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed