SCHEMBL9717722

SCHEMBL9717722

CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(C)CCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.62
CTSS P25774 6/20 0.62
CTSB P07858 6/20 0.62
CTSK P43235 5/20 0.62
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
CA1 P00915 1/20 0.47
ELANE P08246 2/20 0.47
PRTN3 P24158 1/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL7378215 0.84 CTSL (0.66) CTSLCTSSCTSBCTSKMEN1
SCHEMBL15130921 0.84 CTSL (0.72) CTSLCTSSCTSBCTSKMEN1
SCHEMBL9717740 0.81 KMT2A (0.57) CTSLCTSSCTSBCTSKMEN1
SCHEMBL2228722 0.81 CTSL (0.67) CTSLCTSSCTSBCTSKMEN1
SCHEMBL22952873 0.81 CTSL (0.67) CTSLCTSSCTSBCTSKMEN1
SCHEMBL28979566 0.81 CTSL (0.67) CTSLCTSSCTSBCTSKMEN1
SCHEMBL5689428 0.80 CTSL (0.66) CTSLCTSSCTSBCTSKMEN1
SCHEMBL7334769 0.79 CTSL (0.61) CTSLCTSSCTSBCTSKMEN1
SCHEMBL220569 0.78 CTSL (0.63) CTSLCTSSCTSBCTSKMEN1
SCHEMBL1287168 0.78 CTSL (0.63) CTSLCTSSCTSBCTSKMEN1

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-0493683-A1 Fungicidal amino acid amides AMERICAN CYANAMID COMPANY (US) 1992-07-08 EP disclosed