SCHEMBL17553585

SCHEMBL17553585

C=CCOC(=O)N[C@@H](C)C(=O)NN(C(=O)OCC1c2ccccc2-c2ccccc21)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MDM4 O15151 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CASP1 P29466 2/20 0.36
▸ PTPN1 P18031 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
SCHEMBL17553607 0.93 ALDH1A1 (0.38) CASP3ALDH1A1MDM4TP53CASP1
SCHEMBL17553512 0.84 MMP1 (0.40) ALDH1A1PTPN1
SCHEMBL17553669 0.84 PTPN1 (0.37) PTPN1
SCHEMBL17553602 0.81 CASP3 (0.47) CASP3MDM4TP53PTPN1
SCHEMBL17553677 0.81 ALDH1A1 (0.42) CASP3ALDH1A1CASP1PTPN1
SCHEMBL17553459 0.77 ADAM17 (0.44) CASP3MDM4TP53
SCHEMBL25329241 0.77 CASP3 (0.50) CASP3MDM4TP53PTPN1
SCHEMBL30972557 0.77 CASP3 (0.50) CASP3MDM4TP53PTPN1
SCHEMBL25329244 0.77 CASP3 (0.50) CASP3MDM4TP53PTPN1
SCHEMBL17553584 0.76 ALDH1A1 (0.42) ALDH1A1CASP1PTPN1

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
WO-2016029324-A1 AZASULFURYLPEPTIDE-BASED CD36 MODULATORS AND USES THEREOF RSEM, LIMITED PARTNERSHIP (CA) 2016-03-03 — — WO disclosed
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