SCHEMBL8771960

SCHEMBL8771960

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCSc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
CA2 P00918 1/20 0.53
SDCBP O00560 1/20 0.49
SDC2 P34741 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
GLS O94925 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
BACE1 P56817 7/20 0.45
BACE2 Q9Y5Z0 1/20 0.45

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
SCHEMBL8771970 0.88 MTNR1A (0.51) CTSSCTSKMTNR1AMTNR1BKMT2A
SCHEMBL9229164 0.85 SDCBP (0.48) CTSSCTSKCA2SDCBPSDC2
SCHEMBL7528860 0.82 MTNR1A (0.62) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8416665 0.82 CA2 (0.72) CTSSCTSKCA2GLSMEN1
SCHEMBL4750042 0.79 CTSS (0.61) CTSSCTSKBACE1
SCHEMBL9228418 0.79 MTNR1A (0.45) CTSSCTSKSDCBPSDC2MTNR1A
SCHEMBL20046452 0.78 CA2 (0.58) CTSSCTSKCA2MEN1KMT2A
SCHEMBL20075956 0.78 CA2 (0.58) CTSSCTSKCA2MEN1KMT2A
SCHEMBL21731703 0.77 CTSS (0.58) CTSSCTSKCA2GLSMEN1
SCHEMBL21731607 0.77 CTSS (0.58) CTSSCTSKCA2GLSMEN1

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