SCHEMBL31202

SCHEMBL31202

O=C(O)C[C@H]1C[C@H](O)CN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.42
ITGB2 P05107 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGA5 P08648 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGAL P20701 1/20 0.42
SLC6A12 P48065 7/20 0.38
SLC6A11 P48066 7/20 0.38
SLC6A13 Q9NSD5 6/20 0.38
SLC6A1 P30531 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRB2 P47870 4/20 0.38
GABRA1 P14867 3/20 0.38
GABRR1 P24046 3/20 0.38
GABRA4 P48169 3/20 0.38
HSD11B1 P28845 1/20 0.34
SLC1A2 P43004 3/20 0.33
MEN1 O00255 3/20 0.33

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
SCHEMBL8513040 1.00 ITGB3 (0.42) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL13789896 1.00 ITGB3 (0.42) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL8512062 1.00 ITGB3 (0.42) ITGB3ITGB2ITGB1ITGAVITGA2B
Hydrochloric Acid SCHEMBL4427862 0.98 ITGB3 (0.41) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL15719039 0.81 GLB1 (0.31)
SCHEMBL10551374 0.81 DPP4 (0.30)
SCHEMBL4420955 0.79 QARS1 (0.34) LMNA
SCHEMBL4416941 0.79 QARS1 (0.34) LMNA
SCHEMBL13789766 0.79 QARS1 (0.34) LMNA
SCHEMBL13789828 0.79 QARS1 (0.34) LMNA

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
EP-1932852-A1 Novel taxane related peptides and uses thereof Campiani, Giuseppe (IT) 2008-06-18 EP claimed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
EP-1932852-A1 Novel taxane related peptides and uses thereof Campiani, Giuseppe (IT) 2008-06-18 EP disclosed