SCHEMBL28028219

SCHEMBL28028219

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)C(=O)NC1CCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 1/20 0.49
REN P00797 3/20 0.49
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
ATM Q13315 1/20 0.47
SCN9A Q15858 2/20 0.47
ACE P12821 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
SCHEMBL4400615 1.00 KLK5 (0.53) KLK5L3MBTL1KMT2ARENCTSS
SCHEMBL16462573 0.96 KLK5 (0.53) KLK5L3MBTL1KMT2ARENCTSS
SCHEMBL289669 0.96 KLK5 (0.53) KLK5L3MBTL1KMT2ARENCTSS
SCHEMBL3836761 0.96 KLK5 (0.53) KLK5L3MBTL1KMT2ARENCTSS
SCHEMBL4401124 0.89 KLK5 (0.51) KLK5RENCTSSCTSLCTSB
SCHEMBL31177486 0.87 KLK5 (0.52) KLK5L3MBTL1KMT2ARENCTSS
SCHEMBL23921535 0.87 KMT2A (0.53) KLK5KMT2ARENATM
SCHEMBL21554815 0.87 KMT2A (0.53) KLK5KMT2ARENATM
SCHEMBL31177458 0.86 REN (0.52) KLK5L3MBTL1KMT2ARENCTSS
SCHEMBL21554936 0.86 REN (0.53) L3MBTL1KMT2ARENCTSSCTSL

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
CN-103282043-B Congenital agyria therapeutic agent OSAKA CITY UNIVERSITY (JP) 2015-09-30 CN disclosed