SCHEMBL16611508

SCHEMBL16611508

CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.62
ITGA2B P08514 1/20 0.62
CTSL P07711 1/20 0.60
PTPN1 P18031 5/20 0.59
ITGB1 P05556 2/20 0.58
ITGAV P06756 1/20 0.58
ITGA5 P08648 1/20 0.58
ACE P12821 2/20 0.56
GPR132 Q9UNW8 2/20 0.56
CA2 P00918 3/20 0.56
PTPN2 P17706 1/20 0.55
CDC25B P30305 1/20 0.55
PPARG P37231 1/20 0.54
CA1 P00915 1/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
ITGA4 P13612 1/20 0.53
ITGB7 P26010 1/20 0.53
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL16611507 1.00 ITGB3 (0.62) ITGB3ITGA2BCTSLPTPN1ITGB1
SCHEMBL6800455 0.92 ITGB3 (0.65) ITGB3ITGA2BCTSLPTPN1ITGB1
SCHEMBL11746806 0.88 CTSL (0.71) ITGB3ITGA2BCTSLPTPN1ITGB1
SCHEMBL10802837 0.88 CTSL (0.71) ITGB3ITGA2BCTSLPTPN1ITGB1
SCHEMBL9461443 0.86 PTPN1 (0.73) ITGB3ITGA2BPTPN1ITGB1ITGAV
SCHEMBL9461442 0.86 PTPN1 (0.73) ITGB3ITGA2BPTPN1ITGB1ITGAV
SCHEMBL9461988 0.86 PTPN1 (0.73) ITGB3ITGA2BPTPN1ITGB1ITGAV
SCHEMBL11538378 0.85 ACE (0.64) ITGB3ITGA2BCTSLPTPN1ACE
SCHEMBL15303130 0.85 ITGB3 (0.52) ITGB3ITGA2BITGB1ACECA2
SCHEMBL9337698 0.85 ITGB3 (0.62) ITGB3ITGA2BITGB1ACECA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9506102-B2 Fluorescent probe for high-sensitivity pancreatic fluid detection, and method for detecting pancreatic fluid THE UNIVERSITY OF TOKYO (JP) 2016-11-29 US disclosed
US-9506102-B2 Fluorescent probe for high-sensitivity pancreatic fluid detection, and method for detecting pancreatic fluid THE UNIVERSITY OF TOKYO (JP) 2016-11-29 US disclosed
US-20150152469-A1 FLUORESCENT PROBE FOR HIGH-SENSITIVITY PANCREATIC FLUID DETECTION, AND METHOD FOR DETECTING PANCREATIC FLUID THE UNIVERSITY OF TOKYO (JP) 2015-06-04 US disclosed
EP-2857830-A1 FLUORESCENT PROBE FOR HIGH-SENSITIVITY PANCREATIC FLUID DETECTION, AND METHOD FOR DETECTING PANCREATIC FLUID The University of Tokyo (JP) 2015-04-08 EP disclosed