SCHEMBL27449333

SCHEMBL27449333

O=C(CCNC(=O)COC1CCN(C(=O)OCc2ccccc2)CC1)NCC(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.56
ITGB1 P05556 6/20 0.56
ITGA5 P08648 6/20 0.56
ITGA2B P08514 6/20 0.56
ITGAV P06756 4/20 0.56
ITGB5 P18084 3/20 0.56
ST14 Q9Y5Y6 3/20 0.45
F13A1 P00488 4/20 0.44
TGM2 P21980 4/20 0.44
TGM1 P22735 4/20 0.44
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C19 P33261 1/20 0.43
HPN P05981 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 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
SCHEMBL7748735 1.00 ITGB3 (0.56) ITGB3ITGB1ITGA5ITGA2BITGAV
SCHEMBL7753679 0.92 ITGB1 (0.49) ITGB3ITGB1ITGA5ITGA2BITGAV
SCHEMBL27461971 0.85 F13A1 (0.48) ITGB3ITGB1ITGA5ITGA2BITGAV
SCHEMBL7753699 0.82 ITGB3 (0.54) ITGB3ITGB1ITGA5ITGA2BITGAV
SCHEMBL27448890 0.82 ITGB3 (0.54) ITGB3ITGB1ITGA5ITGA2BITGAV
SCHEMBL3902593 0.76 MMP2 (0.50) ITGB3ITGA2BST14F13A1TGM2
SCHEMBL7394756 0.75 SMN1; SMN2 (0.54) SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL8379176 0.75 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL5566106 0.72 ITGB1 (1.00) ITGB3ITGB1ITGA5ITGA2BITGAV
SCHEMBL14453499 0.72 ITGB1 (1.00) ITGB3ITGB1ITGA5ITGA2BITGAV

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
CN-1138322-A 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 1996-12-18 CN disclosed