SCHEMBL20880296

SCHEMBL20880296

CCNC(=O)C(=O)[C@H](CCc1ccccc1)NC(=O)C(CCC(C)C)NC(=O)OCCOC

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 8/20 0.54
CTSL P07711 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CTSK P43235 2/20 0.44
CTSB P07858 1/20 0.44
CAPN2 P17655 1/20 0.43

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
SCHEMBL4390231 0.93 CAPN1 (0.62) CAPN1CTSLCTSKCTSBCAPN2
SCHEMBL21457982 0.93 CAPN1 (0.62) CAPN1CTSLCTSKCTSBCAPN2
SCHEMBL15304656 0.85 CAPN1 (0.53) CAPN1CTSLCTSB
SCHEMBL4402033 0.84 CAPN1 (0.75) CAPN1CTSLCTSKCTSBCAPN2
SCHEMBL21458032 0.84 CAPN1 (0.75) CAPN1CTSLCTSKCTSBCAPN2
SCHEMBL20834985 0.84 CAPN1 (0.75) CAPN1CTSLCTSKCTSBCAPN2
SCHEMBL21012398 0.80 CAPN1 (0.49) CAPN1CTSLCTSKCTSBCAPN2
SCHEMBL21458073 0.79 ANPEP (0.50) CTSLSMN1; SMN2
SCHEMBL3837984 0.79 ANPEP (0.50) CTSLSMN1; SMN2
SCHEMBL21458078 0.79 CAPN1 (0.84) CAPN1CTSLCTSKCTSB

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