SCHEMBL6804494

SCHEMBL6804494

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

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPTLC1 O15269 1/20 0.73
SPTLC2 O15270 1/20 0.73
FAAH O00519 2/20 0.47
ACE P12821 4/20 0.43
MME P08473 3/20 0.43
CPA1 P15085 3/20 0.43
ACE2 Q9BYF1 3/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
PTPN1 P18031 3/20 0.42
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FPR2 P25090 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
FFAR2 O15552 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37

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
SCHEMBL12641489 1.00 SPTLC1 (0.73) SPTLC1SPTLC2FAAHACEMME
SCHEMBL14190631 0.98 SPTLC1 (0.70) SPTLC1SPTLC2FAAHACEMME
SCHEMBL14190626 0.95 SPTLC1 (0.74) SPTLC1SPTLC2FAAHACEMME
SCHEMBL6748229 0.92 SPTLC1 (0.74) SPTLC1SPTLC2FAAHACEMME
SCHEMBL14190634 0.91 SPTLC1 (0.65) SPTLC1SPTLC2FAAHACEMME
SCHEMBL6748282 0.91 SPTLC1 (0.76) SPTLC1SPTLC2FAAHACEMME
SCHEMBL10082711 0.91 SPTLC1 (0.76) SPTLC1SPTLC2FAAHACEMME
SCHEMBL6802874 0.91 SPTLC1 (0.76) SPTLC1SPTLC2FAAHACEMME
SCHEMBL31618543 0.91 SPTLC1 (0.75) SPTLC1SPTLC2FAAHACEMME
SCHEMBL6804868 0.90 SPTLC1 (0.75) SPTLC1SPTLC2FAAHACEMME

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183005-B1 Pharmaceutical agents for treating HCV infections CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-05-22 US disclosed
US-7378446-B2 Compound having anti-HCV activity and process for producing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-27 US disclosed
US-7378446-B2 Compound having anti-HCV activity and process for producing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-27 US disclosed