SCHEMBL14217995

SCHEMBL14217995

CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](Cc1ccc(Oc2ccc(N)cc2)cc1)C(=O)O)[C@@](O)(CC(=O)O)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPTLC1 O15269 2/20 0.76
SPTLC2 O15270 2/20 0.76
FAAH O00519 2/20 0.45
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
MME P08473 3/20 0.41
ACE P12821 2/20 0.41
CPA1 P15085 2/20 0.41
ACE2 Q9BYF1 2/20 0.41
LPAR3 Q9UBY5 3/20 0.36
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36

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
SCHEMBL6804394 0.94 SPTLC1 (0.78) SPTLC1SPTLC2FAAHITGB3ITGA2B
SCHEMBL14190676 0.94 SPTLC1 (0.78) SPTLC1SPTLC2FAAHITGB3ITGA2B
SCHEMBL14190673 0.94 SPTLC1 (0.78) SPTLC1SPTLC2FAAHITGB3ITGA2B
SCHEMBL14190621 0.93 SPTLC1 (0.77) SPTLC1SPTLC2FAAHITGB3ITGA2B
SCHEMBL14190624 0.93 SPTLC1 (0.77) SPTLC1SPTLC2FAAHITGB3ITGA2B
SCHEMBL14217994 0.93 SPTLC1 (0.72) SPTLC1SPTLC2FAAHITGB3ITGA2B
SCHEMBL10082710 0.92 SPTLC1 (0.76) SPTLC1SPTLC2FAAHITGB3ITGA2B
SCHEMBL10082708 0.92 SPTLC1 (0.76) SPTLC1SPTLC2FAAHITGB3ITGA2B
SCHEMBL14190636 0.91 SPTLC1 (0.74) SPTLC1SPTLC2FAAHITGB3ITGA2B
SCHEMBL14190626 0.91 SPTLC1 (0.74) SPTLC1SPTLC2FAAHITGB3ITGA2B

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-7378446-B2 Compound having anti-HCV activity and process for producing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-27 US disclosed