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SCHEMBL30988889

SCHEMBL30988889

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.49
▸ CAPN1 P07384 4/20 0.46
▸ CTSD P07339 6/20 0.45
▸ CTSE P14091 3/20 0.45
▸ BACE1 P56817 6/20 0.44
▸ RAMP1 O60894 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ REN P00797 1/20 0.41
▸ F2R P25116 2/20 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
SCHEMBL29666801 0.90 ACE (0.46) RENF2R
SCHEMBL10428029 0.88 KEAP1 (0.47) CALCRLCAPN1CTSDBACE1F2R
SCHEMBL30596290 0.87 CALCRL (0.51) CALCRLCAPN1CTSDCTSEBACE1
SCHEMBL30661442 0.86 MEN1 (0.45) CAPN1REN
SCHEMBL31318916 0.86 CALCRL (0.51) CALCRLCTSDCTSEBACE1REN
SCHEMBL30658578 0.85 CALCRL (0.49) CALCRLCTSDCTSEBACE1REN
SCHEMBL30407242 0.85 CAPN1 (0.49) CALCRLCAPN1CTSDCTSEBACE1
SCHEMBL30661451 0.84 MEN1 (0.47) REN
SCHEMBL29477125 0.83 ACE (0.50) CALCRLREN
SCHEMBL30596283 0.83 CALCRL (0.45) CALCRLREN

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-2024097353-A1 RECOMBINANT ALGAE HAVING HIGH BIOMASS AND LIPID PRODUCTIVITY VIRIDOS, INC. (US) 2024-05-10 — — WO disclosed
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