SCHEMBL29926499

SCHEMBL29926499

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 1/20 0.41
▸ BACE1 P56817 3/20 0.39
▸ CTSD P07339 2/20 0.39
▸ REN P00797 1/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ CTSB P07858 1/20 0.35
▸ TERT O14746 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
SCHEMBL30099556 0.89 TERT (0.42) RENOPRM1OPRD1OPRK1TERT
SCHEMBL30974462 0.87 TERT (0.41) CALCRLBACE1CTSDRENCTSB
SCHEMBL29388130 0.87 TERT (0.41) CALCRLBACE1RENTERT
SCHEMBL30099495 0.87 MEN1 (0.41) RENTERT
SCHEMBL30037378 0.85 CALCRL (0.41) CALCRLBACE1CTSDRENTERT
SCHEMBL29590422 0.85 OPRM1 (0.42) CALCRLBACE1CTSDRENOPRM1
SCHEMBL30039158 0.84 CTSD (0.38) CALCRLBACE1CTSDRENOPRM1
SCHEMBL29643353 0.84 REN (0.41) CALCRLREN
SCHEMBL30417335 0.83 MEN1 (0.41) CALCRLBACE1REN
SCHEMBL31721020 0.83 MEN1 (0.43) REN

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-2022180415-A1 METHODS FOR PREDICTION OF SEVERITY AND RISK OF MORTALITY OF COVID-19 DISEASE AND PRE-SCREENING OF ACUTE SARS-COV-2 INFECTIONS RAMGEN ZÁRTKÖRŰEN MŰKÖDŐ RÉSZVÉNYTÁRSASÁG (HU) 2022-09-01 — — WO disclosed
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