SCHEMBL8769095

SCHEMBL8769095

COc1ccc(CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.71
KMT2A Q03164 5/20 0.53
MEN1 O00255 1/20 0.53
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
GLA P06280 1/20 0.50
BRD4 O60885 1/20 0.50
CA5A P35218 1/20 0.48

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
SCHEMBL10276787 0.88 CA2 (0.55) CA2KMT2AMEN1CTSSCTSK
SCHEMBL10276786 0.88 CA2 (0.55) CA2KMT2AMEN1CTSSCTSK
SCHEMBL7098744 0.87 SMN1; SMN2 (0.55) CA2KMT2ASMN1; SMN2GLA
SCHEMBL8416665 0.87 CA2 (0.72) CA2KMT2AMEN1CTSSCTSK
SCHEMBL8898123 0.86 KMT2A (0.54) CA2KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL9181012 0.86 KMT2A (0.54) CA2KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8381584 0.85 CA2 (0.64) CA2KMT2AMEN1CTSSCTSK
SCHEMBL7860200 0.85 CA2 (0.62) CA2KMT2AMEN1CTSSCTSK
SCHEMBL6555031 0.84 CA2 (0.65) CA2KMT2AMEN1CTSSCTSK
SCHEMBL6813383 0.84 CA2 (0.65) CA2KMT2AMEN1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP disclosed
EP-0672654-B1 Fungicidal carbamoyloxime carbonic acid amides BASF AG (DE) 1997-09-10 EP disclosed
EP-0672654-A1 Fungicidal carbamoyloxime carbonic acid amides BASF AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
EP-0398072-B1 Amino-acid amides BAYER AG (DE) 1995-02-01 EP disclosed
US-5348976-A Amide derivatives as fungicides safe for plants KUMAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-09-20 US disclosed
EP-0587110-A2 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-16 EP disclosed