SCHEMBL4301432

SCHEMBL4301432

C=CC(O)C(C[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 6/20 0.51
▸ PTPN1 P18031 7/20 0.43
▸ CDC25B P30305 6/20 0.43
▸ TACR2 P21452 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ PTPN2 P17706 2/20 0.40
▸ PTPN6 P29350 2/20 0.40
▸ PTPN11 Q06124 2/20 0.40
▸ NT5E P21589 1/20 0.40
▸ FAAH O00519 1/20 0.40

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
SCHEMBL1171027 1.00 SELP (0.51) SELPPTPN1CDC25BTACR2ENPP2
SCHEMBL1170785 0.90 SELP (0.56) SELPFAAH
SCHEMBL1170783 0.90 SELP (0.56) SELPFAAH
SCHEMBL1170786 0.90 SELP (0.56) SELPFAAH
SCHEMBL1170905 0.90 SELP (0.58) SELPFAAH
SCHEMBL1170902 0.90 SELP (0.58) SELPFAAH
SCHEMBL1170900 0.90 SELP (0.58) SELPFAAH
SCHEMBL1170806 0.89 SELP (0.53) SELPFAAH
SCHEMBL1170807 0.89 SELP (0.53) SELPFAAH
SCHEMBL1170808 0.89 SELP (0.53) SELPFAAH

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
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
EP-2099813-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) 2009-09-16 — — EP 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
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