SCHEMBL8607282

SCHEMBL8607282

CC[C@H](C)[C@H](NC(=O)OC(C)C)C(=O)N[C@H](C)C(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MCL1 Q07820 1/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
KDM4E B2RXH2 2/20 0.40
CTSK P43235 1/20 0.39
FPR2 P25090 2/20 0.37
ATM Q13315 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8607274 1.00 MEN1 (0.45) MEN1KMT2ALMNAL3MBTL1MCL1
SCHEMBL4771937 0.75 RAB9A (0.61) MEN1KMT2ALMNAMCL1KDM4E
SCHEMBL8605403 0.75 MAPT (0.43) MEN1KMT2ALMNACTSSKDM4E
SCHEMBL18896325 0.74 SAE1 (0.49) MEN1KMT2ALMNAMCL1KDM4E
SCHEMBL8607278 0.72 CTSL (0.40) MEN1KMT2AL3MBTL1CTSSCTSL
SCHEMBL8607244 0.72 EPHX1 (0.44) MEN1KMT2AMCL1CYP2C19MAPT
SCHEMBL13555318 0.71 CA1 (0.57) MEN1KMT2ALMNAMCL1KDM4E
SCHEMBL19881299 0.71 CA1 (0.57) MEN1KMT2ALMNAMCL1KDM4E
SCHEMBL10033552 0.71 CA1 (0.57) MEN1KMT2ALMNAMCL1KDM4E
SCHEMBL8603179 0.71 MEN1 (0.49) MEN1KMT2ALMNAMCL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811424-A CONTROL OF DOWNY MILDEW, LATE BLIGHT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-09-22 US disclosed
US-5723469-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-03 US disclosed
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
US-5574064-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-12 US disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed