SCHEMBL6383580

SCHEMBL6383580

CCCCCO[C@H]1C(OC(C)C)O[C@H](COC)[C@@H](O)[C@@H]1OCCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.46
▸ GBA1 P04062 5/20 0.43
▸ TLR4 O00206 2/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ GJB2 P29033 4/20 0.34
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ FGF1 P05230 1/20 0.32
▸ FGF2 P09038 1/20 0.32
▸ VEGFA P15692 1/20 0.32
▸ HPSE Q9Y251 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
SCHEMBL6380656 0.85 TNF (0.46) TNFGBA1MAPK1GJB2
SCHEMBL6384903 0.82 TNF (0.55) TNFGBA1TLR4MAPK1GJB2
SCHEMBL6383996 0.78 TNF (0.37) TNFGBA1GJB2
SCHEMBL6380615 0.76 TNF (0.60) TNFGBA1MAPK1GJB2
SCHEMBL6380648 0.75 TNF (0.50) TNFGBA1MAPK1GJB2FGF1
SCHEMBL6382250 0.74 SLC6A2 (0.45) GJB2
SCHEMBL28274960 0.74 MAPK1 (0.56) TNFGBA1MAPK1GJB2CA1
SCHEMBL28276208 0.74 MAPK1 (0.56) TNFGBA1MAPK1GJB2CA1
SCHEMBL24943350 0.73 GBA1 (0.36) TNFGBA1MAPK1GJB2FGF1
SCHEMBL6380820 0.72 TNF (0.56) TNFGBA1MAPK1GJB2

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
EP-1001961-B1 SUBSTITUTED TETRAHYDROPYRANE DERIVATIVES AND METHOD FOR PRODUCING SAME AVENTIS PHARMA GMBH (DE) 2005-01-26 — — EP disclosed
US-6756489-B1 PROTECTED MONOSACCHARIDES HAVING AN ALLYL PROTECTING GROUP, A SILANE-PROTECTED HYDROXY GROUP AND A CARBOXY OR AMIDE CONTAINING PROTECTIVE GROUP; EASILY MADE BY COMBINATORIAL CHEMISTRY; APPLICATIONS TO AUTOIMMUNE AND CANCER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-29 — — US disclosed
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