SCHEMBL8154374

SCHEMBL8154374

Cc1ccc(C(C)C)cc1C(CN)OP(=O)(O)S

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.39
ACHE P22303 7/20 0.39
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TYR P14679 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
GRM4 Q14833 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
SCHEMBL8154407 0.87 TRPA1 (0.37) BCHEACHETRPA1PTGS1CACNA1C
SCHEMBL8640985 0.85 LMNA (0.33) LMNAMEN1KMT2A
SCHEMBL8642163 0.81 PGK1 (0.40) LMNAMAPTTYR
SCHEMBL8147939 0.77 TRPA1 (0.38) TRPA1LMNAMAPTL3MBTL1
SCHEMBL8148576 0.76 GABRA1 (0.34) PTGS1LMNAKMT2A
SCHEMBL8148419 0.75 BCHE (0.39) BCHEACHETRPA1PTGS1CACNA1C
SCHEMBL8639596 0.73 TRPA1 (0.36) BCHEACHETRPA1PTGS1CACNA1C
SCHEMBL8140444 0.73 BCHE (0.38) BCHEACHETRPA1PTGS1CACNA1C
SCHEMBL8645772 0.72 TRPA1 (0.36) BCHEACHETRPA1PTGS1CACNA1C
SCHEMBL8148412 0.71 TAAR1 (0.33)

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
WO-2000013690-A1 EXOCYCLIC-PHOSPHOETHANOLAMINES CLARION PHARMACEUTICALS, INC. (US) 2000-03-16 WO disclosed
US-5804569-A ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT CLARION PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed