SCHEMBL12094119

SCHEMBL12094119

O=C(NCCCCCO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)[C@H](O)C2O)[C@H](O)C1O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 3/20 0.54
▸ LGALS8 O00214 3/20 0.54
▸ LGALS4 P56470 2/20 0.54
▸ HRAS P01112 1/20 0.46
▸ TGM2 P21980 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ FGF1 P05230 1/20 0.43
▸ FGF2 P09038 1/20 0.43
▸ VEGFA P15692 1/20 0.43
▸ HPSE Q9Y251 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SLC6A2 P23975 1/20 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
SCHEMBL19036050 1.00 LGALS3 (0.54) LGALS3LGALS8LGALS4HRASTGM2
SCHEMBL12094113 1.00 LGALS3 (0.54) LGALS3LGALS8LGALS4HRASTGM2
SCHEMBL8985399 0.94 TGM2 (0.49) LGALS8TGM2MAOBHTT
SCHEMBL31695082 0.93 HRAS (0.48) LGALS3LGALS8LGALS4HRASMAOB
SCHEMBL18756738 0.90 HTT (0.50) LGALS8TGM2MAOBHTT
SCHEMBL28333071 0.86 LMNA (0.54) LGALS8MAOBHTT
SCHEMBL30891325 0.85 HTT (0.46) LGALS8TGM2MAOBMMP13HTT
SCHEMBL30391620 0.85 HTT (0.46) LGALS8TGM2MAOBMMP13HTT
SCHEMBL30891388 0.85 TGM2 (0.44) LGALS8TGM2MAOBMMP13HTT
SCHEMBL13855543 0.84 FGF1 (0.45) LGALS8HRASFGF1FGF2VEGFA

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
US-20120225797-A1 MULTIPLEXED SCREENING OF ENZYME ACTIVITIES USING NANOSTRUCTURE-INITIATOR MASS SPECTROMETRY SANDIA CORPORATION (US) 2012-09-06 — — US disclosed
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