SCHEMBL9695791

SCHEMBL9695791

CCOC(=O)C(=CNc1cc(C)cc(C)n1)C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
MAPT P10636 3/20 0.56
KDM4E B2RXH2 3/20 0.56
DHODH Q02127 4/20 0.55
NPSR1 Q6W5P4 4/20 0.53
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.48
STAT1 P42224 1/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
CHRNB2 P17787 1/20 0.46

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
SCHEMBL23725030 0.86 MEN1 (0.64) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL11603474 0.84 MEN1 (0.48) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL11603470 0.84 MEN1 (0.48) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL1023541 0.80 MEN1 (1.00) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL11605942 0.78 KDM4E (0.44) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL11605945 0.78 KDM4E (0.44) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL12108216 0.78 MAPT (0.64) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL10862774 0.78 MEN1 (0.86) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL11515996 0.77 MEN1 (0.56) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL10863268 0.77 DHODH (0.71) MEN1KMT2AMAPTKDM4EDHODH

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
WO-1992007468-A1 HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-14 WO disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 EP disclosed