SCHEMBL23417822

SCHEMBL23417822

CSCC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.56
▸ ACE P12821 2/20 0.54
▸ ECE1 P42892 11/20 0.53
▸ MAGI3 Q5TCQ9 1/20 0.52
▸ ERAP2 Q6P179 1/20 0.51
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ APAF1 O14727 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL29861670 0.91 CTSC (0.58) CTSCACEECE1MAGI3ERAP2
SCHEMBL29861416 0.90 ACE (0.61) CTSCACEECE1
SCHEMBL30567428 0.90 ACE (0.61) CTSCACEECE1MAGI3ERAP2
SCHEMBL30051277 0.89 CTSC (0.64) CTSCACEECE1MAGI3ERAP2
SCHEMBL30051305 0.86 ACE (0.72) CTSCACEECE1ERAP2
SCHEMBL30051632 0.85 CTSC (0.60) CTSCACEECE1MAGI3ERAP2
SCHEMBL30052446 0.84 ACE (0.59) CTSCACEECE1ERAP2
SCHEMBL30053239 0.84 CTSC (0.66) CTSCACEECE1ERAP2MMP9
Valyltryptophan SCHEMBL150532 0.84 ACE (0.75) CTSCACEECE1
Valyltryptophan SCHEMBL29365770 0.84 ACE (0.75) CTSCACEECE1

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-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 — — WO disclosed
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