SCHEMBL9728853

SCHEMBL9728853

CCCCCCCCC(N)CCn1cccn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.39
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 5/20 0.39
S1PR4 O95977 4/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
NOS1 P29475 2/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
OPRM1 P35372 1/20 0.34
TBXAS1 P24557 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
SCHEMBL19214737 0.81 FDPS (0.37) NOS1TLR8TLR7
Methylamine SCHEMBL27939089 0.79 TLR8 (0.48) NOS1TLR8TLR7TBXAS1
SCHEMBL11438392 0.79 TBXAS1 (0.47) NOS1TLR8TLR7TBXAS1
SCHEMBL6114716 0.79 TBXAS1 (0.47) NOS1TLR8TLR7TBXAS1
SCHEMBL6114513 0.79 TBXAS1 (0.47) NOS1TLR8TLR7TBXAS1
SCHEMBL6114640 0.79 TBXAS1 (0.47) NOS1TLR8TLR7TBXAS1
SCHEMBL5691507 0.79 TBXAS1 (0.47) NOS1TLR8TLR7TBXAS1
SCHEMBL6114991 0.79 TBXAS1 (0.47) NOS1TLR8TLR7TBXAS1
SCHEMBL11440961 0.79 TBXAS1 (0.47) NOS1TLR8TLR7TBXAS1
SCHEMBL6114927 0.79 TBXAS1 (0.47) NOS1TLR8TLR7TBXAS1

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-5162360-A Treating hypercholesterolemia and atherosclerosis; ACAT acyl-coenzyme A:-cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1992-11-10 US disclosed