SCHEMBL6380648

SCHEMBL6380648

CCCCCCCOC[C@H]1OC(OCC)[C@H](OCCCCC)[C@@H](OCCC)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.50
▸ GBA1 P04062 5/20 0.49
▸ GJB2 P29033 5/20 0.46
▸ MAPK1 P28482 1/20 0.41
▸ FGF1 P05230 3/20 0.38
▸ FGF2 P09038 3/20 0.38
▸ VEGFA P15692 3/20 0.38
▸ HPSE Q9Y251 3/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 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
SCHEMBL6380615 0.88 TNF (0.60) TNFGBA1GJB2MAPK1TACR1
SCHEMBL28296339 0.87 GBA1 (0.51) TNFGBA1GJB2MAPK1FGF1
SCHEMBL13760997 0.86 GJB2 (0.47) TNFGBA1GJB2MAPK1FGF1
SCHEMBL6380947 0.85 SSTR5 (0.52) TNFTACR1
SCHEMBL6380820 0.85 TNF (0.56) TNFGBA1GJB2MAPK1TACR1
SCHEMBL8686417 0.83 GBA1 (0.53) TNFGBA1GJB2MAPK1
SCHEMBL8686677 0.83 GBA1 (0.53) TNFGBA1GJB2MAPK1
SCHEMBL8691523 0.83 GBA1 (0.53) TNFGBA1GJB2MAPK1
SCHEMBL8686418 0.83 GBA1 (0.53) TNFGBA1GJB2MAPK1
SCHEMBL19277314 0.82 GJB2 (0.48) TNFGBA1GJB2FGF1FGF2

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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