SCHEMBL8771916

SCHEMBL8771916

CC(COCc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
PSMB5 P28074 1/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
MMP2 P08253 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CCR1 P32246 2/20 0.38
CTSS P25774 1/20 0.37
KLK7 P49862 1/20 0.37
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9229076 0.83 HTT (0.42) LMNAKMT2AHTTHPGDPOLB
SCHEMBL8771891 0.79 LMNA (0.41) LMNAKMT2AHTTHPGDPOLB
SCHEMBL8771843 0.77 TRPA1 (0.44) LMNAKMT2AMAPK1
SCHEMBL9178662 0.77 KMT2A (0.71) LMNAKMT2AHTTPOLBCA2
SCHEMBL9175842 0.77 KMT2A (0.71) LMNAKMT2AHTTPOLBCA2
SCHEMBL28394175 0.77 NOS2 (0.47) LMNAKMT2APOLBMAPK1TSHR
SCHEMBL159980 0.77 NOS2 (0.47) LMNAKMT2APOLBMAPK1TSHR
SCHEMBL21932912 0.77 NOS2 (0.47) LMNAKMT2APOLBMAPK1TSHR
SCHEMBL7563131 0.76 PRCP (0.46) LMNAKMT2AHTTHPGDPOLB
SCHEMBL28640933 0.76 MME (0.50) LMNAKMT2APOLBMAPK1TSHR

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