SCHEMBL5706475

SCHEMBL5706475

C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ PIN1 Q13526 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ MDM4 O15151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MDM2 Q00987 1/20 0.41

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
SCHEMBL30656017 0.92 CASP3 (0.52) CASP3KMT2APIN1EPHX2MDM4
SCHEMBL29368798 0.92 CASP3 (0.52) CASP3KMT2APIN1EPHX2MDM4
SCHEMBL29401786 0.92 CASP3 (0.52) CASP3KMT2APIN1EPHX2MDM4
SCHEMBL3070048 0.92 CASP3 (0.52) CASP3KMT2APIN1EPHX2MDM4
SCHEMBL29401235 0.89 CASP3 (0.46) CASP3KMT2APIN1EPHX2
SCHEMBL3060107 0.89 CASP3 (0.46) CASP3KMT2APIN1EPHX2
SCHEMBL29402434 0.87 CASP3 (0.48) CASP3KMT2APIN1EPHX2MDM4
SCHEMBL7650015 0.87 CASP3 (0.48) CASP3KMT2APIN1EPHX2MDM4
SCHEMBL29401144 0.87 CASP3 (0.48) CASP3KMT2APIN1EPHX2MDM4
SCHEMBL12798422 0.87 CASP3 (0.48) CASP3KMT2APIN1EPHX2MDM4

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-7109309-B2 Peptide fructose and protein conjugate with the same MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2006-09-19 — — US disclosed
EP-1302477-B1 PEPTIDE FRUCTOSE AND COMPLEX THEREOF WITH BINDING PROTEIN MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2006-09-13 — — EP disclosed
US-20030175996-A1 Peptide fructose and complex thereof with binding protein PHC HOLDINGS CO., LTD. (JP) 2003-09-18 — — US disclosed
EP-1302477-A1 PEPTIDE FRUCTOSE AND COMPLEX THEREOF WITH BINDING PROTEIN MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2003-04-16 — — EP disclosed
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