SCHEMBL9708753

SCHEMBL9708753

CCCCOC(=O)N[C@@H](CCC(=O)O)C(=O)O.c1ccc2c(c1)C2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
FOLH1 Q04609 3/20 0.46
CTSK P43235 2/20 0.46
NAALAD2 Q9Y3Q0 2/20 0.45
P2RY12 Q9H244 1/20 0.45
GAA P10253 1/20 0.44
ACE P12821 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL9709088 0.89 ITGB3 (0.46) ITGB3ITGA2BSIRT2SIRT1CTSK
SCHEMBL11789654 0.88 ITGB3 (0.47) ITGB3ITGA2BSIRT2SIRT1CTSK
SCHEMBL7447157 0.87 FOLH1 (0.51) ITGB3ITGA2BFOLH1NAALAD2
SCHEMBL16124669 0.83 NOD1 (0.51) ITGB3ITGA2BFOLH1NAALAD2
SCHEMBL10036530 0.82 NOD1 (0.53) FOLH1NAALAD2
SCHEMBL16124659 0.82 NOD1 (0.53) FOLH1NAALAD2
SCHEMBL11397531 0.82 ITGB3 (0.56) ITGB3ITGA2BFOLH1ACEACE2
SCHEMBL751179 0.81 CTSL (0.55) SIRT2SIRT1FOLH1CTSK
SCHEMBL3630687 0.80 CTSK (0.61) ITGB3ITGA2BSIRT2SIRT1CTSK
SCHEMBL3659010 0.80 CTSK (0.61) ITGB3ITGA2BSIRT2SIRT1CTSK

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
WO-1992011284-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES THE JAMES BLACK FOUNDATION LIMITED (GB) 1992-07-09 WO disclosed