SCHEMBL7359797

SCHEMBL7359797

CC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.61
▸ KMT2A Q03164 2/20 0.52
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ MDM2 Q00987 1/20 0.45

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
SCHEMBL7103745 1.00 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31470993 0.92 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30604630 0.92 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL120580 0.92 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL14279917 0.90 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL18963643 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL15569571 0.89 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL7163906 0.89 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL2950163 0.89 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL25186508 0.88 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2

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
CN-101511783-A N-biaryl (hetero) arylsulphonamide derivatives useful in the treatment of diseases mediated by lymphocytes interactions NOVARTIS AG (CH) 2009-08-19 — — CN disclosed
EP-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 — — EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 — — US disclosed
WO-1996020172-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED β-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1996-07-04 — — WO disclosed
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