SCHEMBL1018596

SCHEMBL1018596

C=C(C)C(=O)N[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 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.49
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
FOLH1 Q04609 1/20 0.43
MME P08473 5/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PCNA P12004 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.41
PPARG P37231 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM4A O75164 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL1015911 0.90 ITGB3 (0.48) ITGB3ITGA2BMMEACECPA1
SCHEMBL6522472 0.88 SLC7A5 (0.49) SLC7A5ITGB3ITGA2BFOLH1MME
SCHEMBL5841274 0.84 ITGB3 (0.53) SLC7A5ITGB3ITGA2BPPARGKDM4E
SCHEMBL1426484 0.84 ITGB3 (0.53) SLC7A5ITGB3ITGA2BPPARGKDM4E
SCHEMBL346687 0.82 FOLH1 (0.59) SLC7A5FOLH1MMEACECPA1
SCHEMBL8021425 0.82 FOLH1 (0.59) SLC7A5FOLH1MMEACECPA1
SCHEMBL9418255 0.79 TGFBR1 (0.48) ITGB3ITGA2BFOLH1MMEACE
SCHEMBL5843022 0.77 ITGB3 (0.43) ITGB3ITGA2BMMEACECPA1
SCHEMBL11035787 0.77 ITGB3 (0.43) ITGB3ITGA2BMMEACECPA1
Acetyl Tyrosine SCHEMBL17763856 0.76 SLC7A5 (0.71) SLC7A5ITGB3ITGA2BFOLH1MME

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
EP-2272486-A1 EASILY REMOVABLE CURABLE COMPOSITION FOR DENTAL USE SUN MEDICAL CO., LTD. (JP) 2011-01-12 EP disclosed