SCHEMBL17553561

SCHEMBL17553561

C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.48
▸ PTPN1 P18031 4/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TNF P01375 1/20 0.43

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
SCHEMBL17553668 0.91 PTPN1 (0.43) CASP3PTPN1MDM4TP53
SCHEMBL25329241 0.86 CASP3 (0.50) CASP3PTPN1MDM4TP53
SCHEMBL30972557 0.86 CASP3 (0.50) CASP3PTPN1MDM4TP53
SCHEMBL25329244 0.86 CASP3 (0.50) CASP3PTPN1MDM4TP53
SCHEMBL17553454 0.86 PTPN1 (0.48) PTPN1
SCHEMBL20415092 0.85 CASP3 (0.49) CASP3PTPN1MDM4TP53
SCHEMBL17553602 0.82 CASP3 (0.47) CASP3PTPN1MDM4TP53TNF
SCHEMBL17553615 0.82 ALDH1A1 (0.48) —
SCHEMBL12605223 0.81 ALDH1A1 (0.55) CASP3PTPN1
SCHEMBL118169 0.81 MDM4 (0.59) CASP3MDM4TP53TNF

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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