SCHEMBL14217994

SCHEMBL14217994

CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(N)cc2)cc1)C(=O)O)[C@@](O)(CC(=O)O)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPTLC1 O15269 2/20 0.72
SPTLC2 O15270 2/20 0.72
FAAH O00519 2/20 0.47
MME P08473 11/20 0.44
ACE P12821 10/20 0.44
CPA1 P15085 10/20 0.44
ACE2 Q9BYF1 10/20 0.44
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38

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
SCHEMBL14190672 0.94 SPTLC1 (0.75) SPTLC1SPTLC2FAAHMMEACE
SCHEMBL6804868 0.94 SPTLC1 (0.75) SPTLC1SPTLC2FAAHMMEACE
SCHEMBL14190668 0.94 SPTLC1 (0.75) SPTLC1SPTLC2FAAHMMEACE
SCHEMBL14217995 0.93 SPTLC1 (0.76) SPTLC1SPTLC2FAAHMMEACE
SCHEMBL14190628 0.93 SPTLC1 (0.73) SPTLC1SPTLC2FAAHMMEACE
SCHEMBL6804492 0.92 SPTLC1 (0.72) SPTLC1SPTLC2FAAHMMEACE
SCHEMBL6805644 0.92 SPTLC1 (0.72) SPTLC1SPTLC2FAAHMMEACE
SCHEMBL14190644 0.91 SPTLC1 (0.71) SPTLC1SPTLC2FAAHMMEACE
SCHEMBL14190669 0.91 SPTLC1 (0.75) SPTLC1SPTLC2FAAHMMEACE
SCHEMBL14190637 0.90 SPTLC1 (0.70) SPTLC1SPTLC2FAAHMMEACE

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