SCHEMBL8249131

SCHEMBL8249131

C=C(O)[C@H](CNC(=O)c1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.59
ITGA5 P08648 6/20 0.59
ITGB3 P05106 3/20 0.59
ITGAV P06756 3/20 0.59
ITGA4 P13612 2/20 0.53
ITGA2 P17301 1/20 0.53
FKBP1A P62942 3/20 0.53
MMP2 P08253 2/20 0.52
MMP9 P14780 2/20 0.52
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL12084555 0.92 ITGB1 (0.68) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4253234 0.92 ITGB1 (0.68) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL8248434 0.85 ITGB1 (0.72) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL8246390 0.84 ITGB1 (0.61) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL8248905 0.83 ITGB1 (0.58) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4257956 0.83 ITGB1 (0.58) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL8248750 0.82 L3MBTL1 (0.61) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL8238713 0.81 ITGB1 (0.69) ITGB1ITGA5ITGA4ITGA2FKBP1A
SCHEMBL19426650 0.81 ITGB1 (0.64) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL8244932 0.80 ITGB1 (0.74) ITGB1ITGA4ITGA2FKBP1AMMP2

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-2006133338-A1 INHIBITORS OF THE α2β1/GPIa-IIa INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNESYLVANIA (US) 2006-12-14 WO disclosed