SCHEMBL29599516

SCHEMBL29599516

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ REN P00797 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ CTSC P53634 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ PRCP P42785 1/20 0.37
▸ DDOST P39656 2/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BACE1 P56817 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
SCHEMBL30051614 0.94 L3MBTL1 (0.45) CALCRLL3MBTL1DPP7RENALDH1A1
SCHEMBL30050989 0.92 DPP7 (0.44) L3MBTL1DPP7RENALDH1A1CTSC
SCHEMBL30051707 0.92 L3MBTL1 (0.47) L3MBTL1DPP7RENALDH1A1CTSC
SCHEMBL31299910 0.92 CALCRL (0.46) CALCRLDPP7RENCTSCPRCP
SCHEMBL24766527 0.87 L3MBTL1 (0.51) L3MBTL1DPP7RENALDH1A1CTSC
SCHEMBL8720605 0.87 L3MBTL1 (0.51) L3MBTL1DPP7RENALDH1A1CTSC
SCHEMBL8720606 0.87 L3MBTL1 (0.51) L3MBTL1DPP7RENALDH1A1CTSC
SCHEMBL30729278 0.87 L3MBTL1 (0.51) L3MBTL1DPP7RENALDH1A1CTSC
SCHEMBL16899848 0.87 L3MBTL1 (0.51) L3MBTL1DPP7RENALDH1A1CTSC
SCHEMBL30729237 0.87 L3MBTL1 (0.51) L3MBTL1DPP7RENALDH1A1CTSC

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-111217894-B Multi-disulfide long-chain peptide with neuroprotective activity, pharmaceutical composition and application 中国科学院大连化学物理研究所 2022-05-31 — — CN claimed
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