SCHEMBL30946749

SCHEMBL30946749

CN(CC(=O)O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.50
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP14 P50281 1/20 0.49
▸ SLC15A1 P46059 1/20 0.47
▸ OPRD1 P41143 5/20 0.46
▸ OPRM1 P35372 4/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALPI P09923 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ XIAP P98170 1/20 0.45
▸ SLC7A5 Q01650 1/20 0.45
▸ LTA4H P09960 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
SCHEMBL11357126 0.83 ALPI (0.56) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL30998028 0.83 NPY4R (0.51) —
SCHEMBL30724710 0.81 LMNA (0.44) MMP9MMP8MMP14PKM
SCHEMBL12202126 0.81 CTSC (0.60) CTSCSLC15A1OPRD1OPRM1OPRK1
SCHEMBL10557246 0.79 GNPAT (0.49) CTSCMMP9MMP8MMP14OPRD1
SCHEMBL1329567 0.79 MME (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL30581391 0.79 MME (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL825577 0.79 MME (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL5065345 0.79 MME (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL30581399 0.79 MME (0.67) CTSCALPIPKMPTGS1XIAP

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
CN-113710684-B Process for producing peptide compound 日产化学株式会社 2024-06-11 — — CN disclosed
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