SCHEMBL20880287

SCHEMBL20880287

CCC(C)NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCCOCCOC

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 7/20 0.75
▸ CTSK P43235 6/20 0.48
▸ CTSL P07711 2/20 0.46
▸ HTRA1 Q92743 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ PSMB5 P28074 1/20 0.45
▸ CTSB P07858 1/20 0.44

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
SCHEMBL13954301 1.00 CAPN1 (0.75) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL13954130 1.00 CAPN1 (0.75) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL8293720 0.97 CAPN1 (0.73) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL3837382 0.88 CAPN1 (0.75) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL19661345 0.88 CAPN1 (0.75) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL3837378 0.88 CAPN1 (0.75) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL21458032 0.87 CAPN1 (0.75) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL20834985 0.87 CAPN1 (0.75) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL4402033 0.87 CAPN1 (0.75) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL20474484 0.85 CAPN1 (0.76) CAPN1CTSKCTSLHTRA1CTSS

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
EP-3466421-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER Osaka City University (JP) 2019-04-10 — — EP disclosed
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