SCHEMBL8769778

SCHEMBL8769778

COc1ccc(CCN(C)C(=O)[C@@H](NC(=O)OCc2ccc(C)cc2)C(C)C)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
KDM4E B2RXH2 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
CDK8 P49336 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL9717740 0.92 KMT2A (0.57) KMT2AMEN1KDM4ECTSLCTSB
SCHEMBL9717666 0.85 MAPK1 (0.52) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL9717703 0.82 KMT2A (0.51) KMT2AMEN1KDM4ECTSLCTSB
SCHEMBL9717812 0.74 KMT2A (0.56) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL9717722 0.73 CTSL (0.62) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL8604954 0.72 CTSL (0.51) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL175179 0.70 MEN1 (0.47) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL137093 0.70 MEN1 (0.47) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL136888 0.70 MAPK1 (0.57) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL14276933 0.69 CYP3A4 (0.66) KMT2AMEN1KDM4ELMNAALDH1A1

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-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