Sugi Predict

Sugi Predict / Compounds / SCHEMBL13576441

SCHEMBL13576441

SCHEMBL13576441

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1OC(COCCCC)[C@H](OCCCC)C(OCCCC)C1OCCCC)[C@H](O)/C=C/CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 16/20 0.55
▸ PLA2G4A P47712 2/20 0.42

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
SCHEMBL10314510 0.88 PTPN1 (0.44) SELP
SCHEMBL12228815 0.86 SELP (0.48) SELP
SCHEMBL1170806 0.84 SELP (0.53) SELP
SCHEMBL1170807 0.84 SELP (0.53) SELP
SCHEMBL1170808 0.84 SELP (0.53) SELP
SCHEMBL12227936 0.84 SELP (0.46) SELPPLA2G4A
SCHEMBL12228315 0.82 SELP (0.44) SELP
SCHEMBL12228221 0.79 SELP (0.43) SELPPLA2G4A
SCHEMBL1170786 0.79 SELP (0.56) SELPPLA2G4A
SCHEMBL1170905 0.79 SELP (0.58) SELPPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008047249-A9 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-12-23 — — WO disclosed
WO-2008047249-A2 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-04-24 — — WO disclosed
Send feedback