SCHEMBL30396456

SCHEMBL30396456

CC(C)(C)OC(=O)NC(C[C@@H]1CCNC1=O)[C@H](OC(=O)c1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.49
CYP2D6 P10635 1/20 0.47
CAPN1 P07384 1/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTSF Q9UBX1 1/20 0.41

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
SCHEMBL25243264 0.92 CTSL (0.50) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL25284441 0.92 CTSL (0.50) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL25284440 0.92 CTSL (0.50) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL19924761 0.89 CTSL (0.42) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL19924760 0.89 CTSL (0.42) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL19924759 0.89 CTSL (0.42) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL25765470 0.89 CTSL (0.53) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL29015557 0.89 CTSL (0.53) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL29015558 0.81 CTSL (0.48) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL24190294 0.78 CTSL (0.51) CTSLCAPN1CTSBCTSK

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-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 EP disclosed