SCHEMBL30504384

SCHEMBL30504384

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 3/20 0.49
▸ REN P00797 2/20 0.49
▸ MME P08473 3/20 0.47
▸ CALCRL Q16602 1/20 0.47
▸ EED O75530 1/20 0.43
▸ GHSR Q92847 1/20 0.43
▸ CDYL2 Q8N8U2 1/20 0.43
▸ CDYL Q9Y232 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ KLK7 P49862 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PSMB5 P28074 1/20 0.42

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
SCHEMBL29706522 0.90 MME (0.45) CTSCRENMMEKLK7
SCHEMBL29706129 0.90 CTSC (0.59) CTSCRENMMEEEDGHSR
SCHEMBL31319510 0.89 CTSC (0.58) CTSCRENMMELMNATDP1
SCHEMBL30310095 0.89 CTSC (0.58) CTSCRENMMEEEDGHSR
SCHEMBL29695560 0.87 CTSC (0.58) CTSCRENMMECALCRLLMNA
SCHEMBL30051563 0.86 CTSC (0.59) CTSCRENMMECALCRLLMNA
SCHEMBL30553112 0.86 CTSC (0.59) CTSCRENMMEKLK7LMNA
SCHEMBL29947748 0.86 CTSC (0.59) CTSCRENMMECALCRLGHSR
SCHEMBL29702042 0.84 CTSC (0.63) CTSCRENMMEGHSRLMNA
SCHEMBL30546877 0.84 CTSC (0.63) CTSCRENMMEGHSRLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801195-B Tuna roe antihypertensive peptide and application thereof 浙江海洋大学 2023-06-27 — — CN claimed
CN-113801195-B Tuna roe antihypertensive peptide and application thereof 浙江海洋大学 2023-06-27 — — CN disclosed
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