SCHEMBL9051863

SCHEMBL9051863

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1O.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
ACE P12821 2/20 0.58
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CMA1 P23946 4/20 0.54
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
ATM Q13315 1/20 0.50
KLK5 Q9Y337 1/20 0.49
CTSS P25774 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
PABPC1 P11940 1/20 0.49

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 0.97 ACE (0.60) MAPK1ACEKMT2AALDH1A1HSD17B10
SCHEMBL6171025 0.94 ACE (0.64) MAPK1ACEKMT2ACMA1F2
SCHEMBL6171028 0.94 ACE (0.64) MAPK1ACEKMT2ACMA1F2
SCHEMBL9051859 0.83 ACE (0.57) MAPK1ACEKMT2AALDH1A1HSD17B10
SCHEMBL6412055 0.83 ACE (0.66) MAPK1ACEKMT2ACMA1F2
SCHEMBL6412059 0.83 ACE (0.66) MAPK1ACEKMT2ACMA1F2
SCHEMBL7087290 0.83 ACE (0.66) MAPK1ACEKMT2ACMA1F2
SCHEMBL22409423 0.83 ACE (0.77) ACEKMT2ACMA1F2PRSS1
SCHEMBL3692081 0.83 ACE (0.77) ACEKMT2ACMA1F2PRSS1
SCHEMBL3692085 0.83 ACE (0.77) ACEKMT2ACMA1F2PRSS1

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