SCHEMBL11814745

SCHEMBL11814745

CCCCCC(C)C(=S)OCC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.45
OPRM1 P35372 1/20 0.43
TP53 P04637 1/20 0.39
FDPS P14324 4/20 0.38
CA12 O43570 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
ACE2 Q9BYF1 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
LMNA P02545 1/20 0.35
FAAH O00519 1/20 0.35
SMPD1 P17405 1/20 0.33

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
SCHEMBL9698545 0.86 CA1 (0.44) CA1OPRM1FDPSCA12CA2
SCHEMBL560663 0.81 CA1 (0.40) CA1OPRM1FDPSCA12CA2
SCHEMBL9577842 0.81 CA1 (0.40) CA1OPRM1FDPSCA12CA2
SCHEMBL1823283 0.81 CA1 (0.40) CA1OPRM1FDPSCA12CA2
SCHEMBL31142399 0.81 CA1 (0.40) CA1OPRM1FDPSCA12CA2
SCHEMBL7749017 0.81 CA1 (0.40) CA1OPRM1FDPSCA12CA2
SCHEMBL9696166 0.80 CA1 (0.39) CA1FDPSCA12CA2CA9
SCHEMBL9014431 0.79 CA1 (0.45) CA1OPRM1FDPSACE2SPHK1
SCHEMBL11082643 0.79 CA1 (0.45) CA1OPRM1FDPSACE2SPHK1
SCHEMBL11145853 0.79 CA1 (0.45) CA1OPRM1FDPSACE2SPHK1

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
US-4059699-A O,O-diethyl-O-carboxamidophosphate esters and use to combat insects and mites GULF OIL CORPORATION (US) 1977-11-22 US disclosed
US-3994997-A MITICIDES, INSECTICIDES GULF OIL CORPORATION (US) 1976-11-30 US disclosed