SCHEMBL17553675

SCHEMBL17553675

C=CCOC(=O)N[C@@H](C)C(=O)NNS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.44
▸ PAX8 Q06710 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ PSMB8 P28062 1/20 0.40
▸ PSMB9 P28065 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CCKBR P32239 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ P4HB P07237 1/20 0.39
▸ KISS1R Q969F8 1/20 0.39

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
SCHEMBL17553670 0.88 CTSL (0.47) CTSL
SCHEMBL17553674 0.83 ALDH1A1 (0.44) RENTDP1CTSLPSMB5ALDH1A1
SCHEMBL17553669 0.81 PTPN1 (0.37) RENPAX8TDP1
SCHEMBL17553513 0.81 MMP1 (0.46) RENPAX8TDP1PSMB8PSMB9
SCHEMBL12285382 0.80 PAX8 (0.51) PAX8TDP1CTSLPSMB8PSMB9
SCHEMBL17553671 0.80 MMP1 (0.46) RENPAX8TDP1PSMB8PSMB9
SCHEMBL17553615 0.79 ALDH1A1 (0.48) CTSLALDH1A1CA2
SCHEMBL20653746 0.79 CTSL (0.67) RENPAX8TDP1CTSLPSMB8
SCHEMBL8259105 0.78 CTSS (0.50) PAX8TDP1CTSLPSMB8PSMB9
SCHEMBL17553451 0.78 CCKBR (0.40) RENPAX8TDP1PSMB8PSMB9

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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