SCHEMBL7325639

SCHEMBL7325639

CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.57
CTSS P25774 5/20 0.57
CTSB P07858 5/20 0.57
CTSK P43235 4/20 0.57
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
ELANE P08246 3/20 0.49
CAPN1 P07384 1/20 0.46
PRTN3 P24158 1/20 0.45
ATM Q13315 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45

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
SCHEMBL18359408 0.90 MEN1 (0.58) CTSLCTSSCTSBCTSKMEN1
SCHEMBL10487573 0.90 MEN1 (0.58) CTSLCTSSCTSBCTSKMEN1
SCHEMBL7334769 0.89 CTSL (0.61) CTSLCTSSCTSBCTSKMEN1
SCHEMBL9554997 0.88 CTSL (0.50) CTSLCTSSCTSBCTSKMEN1
SCHEMBL6262924 0.87 CTSL (0.49) CTSLCTSSCTSBCTSK
SCHEMBL6262926 0.87 CTSL (0.49) CTSLCTSSCTSBCTSK
SCHEMBL6268213 0.85 NPSR1 (0.44) MEN1KMT2ALMNAATM
SCHEMBL6268212 0.85 NPSR1 (0.44) MEN1KMT2ALMNAATM
SCHEMBL5205166 0.84 CASP3 (0.48) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL27571135 0.84 CASP3 (0.48) CTSLCTSSCTSBCTSKKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5221665-A N-substituted amides BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1993-06-22 US disclosed
EP-0369391-A2 N-substituted amides BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1990-05-23 EP disclosed