SCHEMBL9332917

SCHEMBL9332917

CCCCCCCCO[C@@H]1[C@@H](OCCCCCCCC)[C@H](O)[C@@H](CO)O[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 6/20 0.59
▸ SLC2A1 P11166 1/20 0.57
▸ MAPK1 P28482 1/20 0.50
▸ TNF P01375 1/20 0.45
▸ GJB2 P29033 1/20 0.43
▸ LGALS8 O00214 1/20 0.40
▸ LGALS3 P17931 1/20 0.40
▸ LGALS4 P56470 1/20 0.40
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ TK2 O00142 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
SCHEMBL28069563 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1TNFGJB2
SCHEMBL28066817 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1TNFGJB2
SCHEMBL27938366 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1TNFGJB2
SCHEMBL28066824 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1TNFGJB2
SCHEMBL28069583 1.00 GBA1 (0.59) GBA1SLC2A1MAPK1TNFGJB2
SCHEMBL16678919 0.95 SLC2A1 (0.58) GBA1SLC2A1MAPK1TNFGJB2
SCHEMBL14500937 0.94 SLC2A1 (0.52) GBA1SLC2A1MAPK1TNFGJB2
SCHEMBL16377619 0.94 SLC2A1 (0.52) GBA1SLC2A1MAPK1TNFGJB2
SCHEMBL16678933 0.94 SLC2A1 (0.56) GBA1SLC2A1MAPK1TNFGJB2
SCHEMBL16330459 0.94 SLC2A1 (0.52) GBA1SLC2A1MAPK1TNFGJB2

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
EP-0338265-B1 Haemophilus influenzae type B polysaccharide-outer membrane protein conjugate vaccine AMERICAN CYANAMID CO (US) 1994-05-04 — — EP claimed
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