SCHEMBL8771874

SCHEMBL8771874

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
GLS O94925 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
TRPA1 O75762 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KLK5 Q9Y337 1/20 0.42
BACE1 P56817 3/20 0.42

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
SCHEMBL8771992 0.85 CTSK (0.50) CTSSCTSKCA2TRPA1KDM4E
SCHEMBL8771868 0.84 MAPT (0.48) CTSSCTSKCA2MEN1KMT2A
SCHEMBL25076073 0.83 SLC1A3 (0.44) CTSSCTSKKMT2AATMTRPA1
SCHEMBL9229477 0.81 AKT1 (0.38) CTSSCTSKGLSMEN1KMT2A
SCHEMBL25076071 0.81 KLK5 (0.49) CTSSCTSKATMTRPA1KLK5
SCHEMBL8535989 0.80 CTSS (0.49) CTSSCTSKCA2MEN1KMT2A
SCHEMBL8385834 0.79 CTSK (0.54) CTSSCTSKCA2MEN1KMT2A
SCHEMBL9331274 0.79 CTSK (0.53) CTSSCTSKCA2MEN1KMT2A
SCHEMBL17905113 0.78 KLK5 (0.45) CTSSCTSKTRPA1KLK5
SCHEMBL12890771 0.78 KLK5 (0.51) CTSSCTSKATMTRPA1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed