SCHEMBL8771891

SCHEMBL8771891

CC(CNc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.38
CTSK P43235 4/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 1/20 0.37
TSHR P16473 1/20 0.36
KLK7 P49862 2/20 0.36
FFAR2 O15552 1/20 0.36
SDCBP O00560 1/20 0.36
SDC2 P34741 1/20 0.36
HTT P42858 1/20 0.36
FPR2 P25090 1/20 0.36
CTSS P25774 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
SCHEMBL9227651 0.82 MAPT (0.40) LMNAMAPK1MAPTPOLBKMT2A
SCHEMBL8771916 0.79 LMNA (0.43) LMNAMAPK1POLBKMT2ANPSR1
SCHEMBL7563131 0.78 PRCP (0.46) LMNAMAPK1POLBKMT2AHPGD
SCHEMBL4000328 0.77 MAPK1 (0.42) LMNAMAPK1POLBKMT2ATSHR
SCHEMBL3963100 0.75 KMT2A (0.53) LMNAMAPK1POLBKMT2AHTT
SCHEMBL336943 0.75 KMT2A (0.53) LMNAMAPK1POLBKMT2AHTT
SCHEMBL3001125 0.75 KMT2A (0.53) LMNAMAPK1POLBKMT2AHTT
SCHEMBL8771843 0.74 TRPA1 (0.44) LMNAMAPK1KMT2AMEN1
SCHEMBL9178662 0.74 KMT2A (0.71) LMNAMAPK1POLBKMT2AMEN1
SCHEMBL9175842 0.74 KMT2A (0.71) LMNAMAPK1POLBKMT2AMEN1

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