SCHEMBL9229477

SCHEMBL9229477

CC(N[C@H](C(=O)NC(=O)OC(C)(C)C)C(C)C)C(C)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.38
CTSS P25774 3/20 0.37
CTSK P43235 2/20 0.37
KLK5 Q9Y337 1/20 0.37
MMP13 P45452 1/20 0.36
APP P05067 1/20 0.36
PTGES O14684 1/20 0.35
ELANE P08246 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
GLS O94925 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL9224387 0.85 CTSS (0.39) CTSSCTSKMMP13GAATRPA1
SCHEMBL9231068 0.84 LMNA (0.42) MMP13MEN1ALDH1A1LMNAGAA
SCHEMBL8771874 0.81 CTSS (0.49) CTSSCTSKKLK5MEN1ALDH1A1
SCHEMBL7307182 0.80 CTSK (0.44) AKT1CTSSCTSKKLK5APP
SCHEMBL7353047 0.80 CTSK (0.45) CTSSCTSKKLK5ELANEMEN1
SCHEMBL7304711 0.80 CTSK (0.44) AKT1CTSSCTSKKLK5APP
SCHEMBL25076073 0.74 SLC1A3 (0.44) CTSSCTSKMMP13APPKMT2A
SCHEMBL7309512 0.73 CA12 (0.50) AKT1CTSSCTSKKLK5
SCHEMBL7314443 0.72 CTSK (0.48) CTSSCTSKKLK5APP
SCHEMBL7313867 0.72 CTSK (0.48) CTSSCTSKKLK5APP

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-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed