SCHEMBL29706165

SCHEMBL29706165

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.46
▸ ELANE P08246 10/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ PIN1 Q13526 1/20 0.40
▸ CMA1 P23946 3/20 0.40

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
SCHEMBL30963663 0.87 XIAP (0.49) XIAPELANEKMT2APOLBPIN1
SCHEMBL30963662 0.86 POLB (0.51) XIAPELANEKMT2AL3MBTL1POLB
SCHEMBL29706391 0.85 F2 (0.44) —
SCHEMBL2946630 0.84 FAP (0.40) ELANE
SCHEMBL29400819 0.84 KMT2A (0.53) KMT2AL3MBTL1PIN1
SCHEMBL10512329 0.84 KMT2A (0.53) KMT2AL3MBTL1PIN1
SCHEMBL22804000 0.84 POLB (0.48) XIAPELANEKMT2AL3MBTL1POLB
SCHEMBL29350646 0.84 POLB (0.48) XIAPELANEKMT2AL3MBTL1POLB
SCHEMBL20210374 0.84 POLB (0.48) XIAPELANEKMT2AL3MBTL1POLB
SCHEMBL15216177 0.84 POLB (0.48) XIAPELANEKMT2AL3MBTL1POLB

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-114573686-A Polypeptide containing disulfide bond and having serine protease activity inhibition function and application thereof 中国医学科学院药物研究所 2022-06-03 — — CN disclosed
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