SCHEMBL30454977

SCHEMBL30454977

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 1/20 0.43
▸ CAPN1 P07384 2/20 0.40
▸ REN P00797 3/20 0.39
▸ KEAP1 Q14145 2/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.35
▸ CTSC P53634 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL30353294 0.86 CALCRL (0.49) CALCRLDPP7CTSCMEN1KMT2A
SCHEMBL27544763 0.85 DPP7 (0.43) CAPN1RENDPP7CTSCMEN1
SCHEMBL1369567 0.85 DPP7 (0.43) CAPN1RENDPP7CTSCMEN1
SCHEMBL1369569 0.85 DPP7 (0.43) CAPN1RENDPP7CTSCMEN1
Hydrochloric Acid SCHEMBL10794167 0.84 MEN1 (0.43) CAPN1RENDPP7CTSCMEN1
SCHEMBL30139035 0.84 DPP7 (0.41) CALCRLDPP7CTSCMEN1KMT2A
SCHEMBL30446058 0.84 MEN1 (0.41) CALCRLCAPN1RENDPP7CTSC
SCHEMBL29876337 0.83 REN (0.42) CALCRLCAPN1RENDPP7CTSC
SCHEMBL30423389 0.83 DPP7 (0.41) CALCRLCAPN1RENDPP7CTSC
SCHEMBL31721020 0.82 MEN1 (0.43) RENDPP7CTSCMEN1KMT2A

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
WO-2023120844-A1 COMPOSITION FOR MASS PROLIFERATING NATURAL KILLER CELLS, COMPRISING NOVEL PEPTIDE, AND METHOD FOR MASS PROLIFERATING NATURAL KILLER CELLS BY USING SAME 엔케이젠 주식회사 2023-06-29 — — WO claimed
WO-2023120844-A1 COMPOSITION FOR MASS PROLIFERATING NATURAL KILLER CELLS, COMPRISING NOVEL PEPTIDE, AND METHOD FOR MASS PROLIFERATING NATURAL KILLER CELLS BY USING SAME 엔케이젠 주식회사 2023-06-29 — — WO disclosed
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