SCHEMBL17553669

SCHEMBL17553669

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.37
▸ GRB2 P62993 1/20 0.37
▸ REN P00797 1/20 0.37
▸ PAX8 Q06710 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ TLR1 Q15399 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
SCHEMBL17553512 0.94 MMP1 (0.40) PTPN1RENPAX8TDP1TLR2
SCHEMBL17553508 0.87 CCKAR (0.38) —
SCHEMBL17553607 0.86 ALDH1A1 (0.38) —
SCHEMBL17553585 0.84 CASP3 (0.42) PTPN1
SCHEMBL17553573 0.82 MMP1 (0.39) PTPN1GRB2PAX8TDP1TLR2
SCHEMBL17553448 0.81 MMP1 (0.38) PTPN1GRB2PAX8TDP1TLR2
SCHEMBL17553675 0.81 REN (0.44) RENPAX8TDP1
SCHEMBL17553572 0.80 MMP1 (0.43) PTPN1GRB2RENPAX8TDP1
SCHEMBL17553513 0.80 MMP1 (0.46) RENPAX8TDP1
SCHEMBL23922657 0.78 MDM2 (0.48) PTPN1RENPAX8TDP1TLR2

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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