SCHEMBL21265876

SCHEMBL21265876

CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CAPN9 O14815 1/20 0.45
CAPN1 P07384 5/20 0.44
CTSL P07711 3/20 0.44
CTSB P07858 2/20 0.44
LMNA P02545 1/20 0.44
CTSG P08311 1/20 0.44
CTSS P25774 3/20 0.42
CTSK P43235 2/20 0.42
GAA P10253 2/20 0.41
BIRC2 Q13490 1/20 0.39
PPID Q08752 2/20 0.38
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL23619298 0.88 ALDH1A1 (0.46) ALDH1A1CAPN9CAPN1CTSLCTSB
SCHEMBL23619297 0.88 ALDH1A1 (0.49) ALDH1A1CAPN9CAPN1CTSLCTSB
SCHEMBL18930768 0.88 KMT2A (0.52) ALDH1A1CAPN9CAPN1CTSLCTSB
SCHEMBL21248160 0.86 ALDH1A1 (0.53) ALDH1A1CAPN1CTSLCTSBCTSS
SCHEMBL21248161 0.86 ALDH1A1 (0.53) ALDH1A1CAPN1CTSLCTSBCTSS
SCHEMBL6756063 0.84 CAPN9 (0.43) CAPN9CAPN1CTSLCTSBLMNA
SCHEMBL24301981 0.84 CAPN9 (0.38) ALDH1A1CAPN9CAPN1CTSLCTSB
SCHEMBL21248186 0.83 ALDH1A1 (0.50) ALDH1A1CAPN9CAPN1CTSLCTSB
SCHEMBL12572526 0.83 SMN1; SMN2 (0.47) ALDH1A1GAAPPIDMGAMSI
SCHEMBL16628812 0.83 CAPN9 (0.42) CAPN9CAPN1CTSLCTSBLMNA

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-2019157338-A1 MEBENDAZOLE PRODRUGS WITH ENHANCED SOLUBILITY AND ORAL BIOAVAILABILITY THE JOHNS HOPKINS UNIVERSITY (US) 2019-08-15 WO disclosed