SCHEMBL14145147

SCHEMBL14145147

CCCCCCC(C)c1cnc(CC(O)C(O)C(O)C(N)(CO)C(=O)O)nc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPTLC1 O15269 1/20 0.40
SPTLC2 O15270 1/20 0.40
LNPEP Q9UIQ6 3/20 0.32
CSNK1E P49674 1/20 0.31
S1PR4 O95977 2/20 0.30
S1PR1 P21453 2/20 0.30
S1PR5 Q9H228 2/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL14259723 0.77 LNPEP (0.33) SPTLC1SPTLC2LNPEP
SCHEMBL14145145 0.73 SPTLC1 (0.41) SPTLC1SPTLC2LNPEPS1PR4S1PR1
SCHEMBL14144988 0.72 SPTLC1 (0.43) SPTLC1SPTLC2CSNK1ES1PR4S1PR1
SCHEMBL14144991 0.69 SPTLC1 (0.42) SPTLC1SPTLC2
SCHEMBL14145262 0.68 BRS3 (0.43) SPTLC1SPTLC2LNPEPS1PR4S1PR1
SCHEMBL14145247 0.68 GPR84 (0.50) SPTLC1SPTLC2
SCHEMBL14145146 0.65 SPTLC1 (0.40) SPTLC1SPTLC2
SCHEMBL21755168 0.65 OPRM1 (0.38)
SCHEMBL14169310 0.65 RARB (0.44) LNPEPCSNK1ES1PR4S1PR1S1PR5
SCHEMBL19231989 0.63 GPR84 (0.38)

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
WO-2008083280-A1 COMPOUNDS AND METHODS OF TREATING INSULIN RESISTANCE AND CARDIOMYOPATHY TRANSITION THERAPEUTICS INC. (CA) 2008-07-10 WO disclosed