SCHEMBL9051859

SCHEMBL9051859

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)OC1CCCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.57
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
MAPK1 P28482 1/20 0.51
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
KLK5 Q9Y337 1/20 0.49
CTSS P25774 2/20 0.48
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
PABPC1 P11940 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CMA1 P23946 3/20 0.47

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
SCHEMBL6167010 0.86 ACE (0.60) ACEKMT2AL3MBTL1MAPK1F2
SCHEMBL9051863 0.83 MAPK1 (0.58) ACEKMT2AATMMAPK1F2
SCHEMBL6171028 0.83 ACE (0.64) ACEKMT2AMAPK1F2PRSS1
SCHEMBL6171025 0.83 ACE (0.64) ACEKMT2AMAPK1F2PRSS1
SCHEMBL5820675 0.82 CTSS (0.57) ACEKMT2AATMMAPK1KLK5
SCHEMBL5820678 0.82 CTSS (0.57) ACEKMT2AATMMAPK1KLK5
SCHEMBL3692085 0.82 ACE (0.77) ACEKMT2AF2PRSS1KLK5
SCHEMBL22409423 0.82 ACE (0.77) ACEKMT2AF2PRSS1KLK5
SCHEMBL3692081 0.82 ACE (0.77) ACEKMT2AF2PRSS1KLK5
SCHEMBL5900836 0.82 ACE (0.77) ACEKMT2AF2PRSS1KLK5

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-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed