SCHEMBL14217993

SCHEMBL14217993

CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](CC1=CCCS1)C(=O)O)[C@@](O)(CC(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPTLC1 O15269 2/20 0.61
SPTLC2 O15270 2/20 0.61
FAAH O00519 4/20 0.39
SLC6A5 Q9Y345 2/20 0.37
EPHX2 P34913 2/20 0.35
HSPD1 P10809 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
ASAH2 Q9NR71 1/20 0.32
ALDH1A1 P00352 4/20 0.32
F7 P08709 3/20 0.32
F3 P13726 3/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
DUSP3 P51452 1/20 0.32
PTPN7 P35236 1/20 0.32
KDM4E B2RXH2 1/20 0.32
FFAR1 O14842 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL31618543 0.83 SPTLC1 (0.75) SPTLC1SPTLC2FAAHEPHX2
SCHEMBL6748282 0.81 SPTLC1 (0.76) SPTLC1SPTLC2FAAHCYP3A4
SCHEMBL6802874 0.81 SPTLC1 (0.76) SPTLC1SPTLC2FAAHSLC6A5EPHX2
SCHEMBL10082711 0.81 SPTLC1 (0.76) SPTLC1SPTLC2FAAHSLC6A5ASAH2
SCHEMBL6748227 0.81 SPTLC1 (0.64) SPTLC1SPTLC2FAAHSLC6A5EPHX2
SCHEMBL6804868 0.81 SPTLC1 (0.75) SPTLC1SPTLC2FAAH
SCHEMBL6805680 0.81 SPTLC1 (0.75) SPTLC1SPTLC2FAAHSLC6A5EPHX2
SCHEMBL14190669 0.81 SPTLC1 (0.75) SPTLC1SPTLC2FAAHSLC6A5EPHX2
SCHEMBL14190672 0.81 SPTLC1 (0.75) SPTLC1SPTLC2FAAH
SCHEMBL14190616 0.81 SPTLC1 (0.75) SPTLC1SPTLC2FAAHSLC6A5EPHX2

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