SCHEMBL6522472

SCHEMBL6522472

C=C(C)C(=O)ON[C@@H](Cc1ccc(O)cc1)C(=O)O.C=C(C)C(=O)OOc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.49
PCNA P12004 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
PTPN1 P18031 1/20 0.39
FOLH1 Q04609 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
TPH1 P17752 2/20 0.37
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36

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
SCHEMBL5843022 0.90 ITGB3 (0.43) ITGB3ITGA2BMMEACECPA1
SCHEMBL11035787 0.90 ITGB3 (0.43) ITGB3ITGA2BMMEACECPA1
SCHEMBL1018596 0.88 SLC7A5 (0.49) SLC7A5PCNAITGB3ITGA2BPTPN1
SCHEMBL33331 0.86 FOLH1 (0.49) SLC7A5FOLH1MMEACECPA1
SCHEMBL33332 0.86 FOLH1 (0.49) SLC7A5FOLH1MMEACECPA1
SCHEMBL1426484 0.84 ITGB3 (0.53) SLC7A5ITGB3ITGA2BPTPN1TPH1
SCHEMBL5841274 0.84 ITGB3 (0.53) SLC7A5ITGB3ITGA2BPTPN1TPH1
SCHEMBL1015911 0.77 ITGB3 (0.48) ITGB3ITGA2BMMEACECPA1
SCHEMBL33445 0.76 FPR2 (0.47) SLC7A5MMEACECPA1ACE2
SCHEMBL33446 0.76 FPR2 (0.47) SLC7A5MMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491915-A1 EASILY REMOVABLE CURABLE COMPOSITION FOR DENTAL USE SUN MEDICAL CO., LTD. (JP) 2012-08-29 EP disclosed
EP-1563820-A1 DENTAL ADHESIVE COMPOSITION SUN MEDICAL CO., LTD. (JP) 2005-08-17 EP disclosed