SCHEMBL11062887

SCHEMBL11062887

COc1cc(NC(C(=O)O)C(C)C)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPK1 P28482 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
G6PD P11413 1/20 0.47
ATM Q13315 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 1/20 0.41
HPGD P15428 1/20 0.41
HTR2C P28335 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL11197844 1.00 MEN1 (0.50) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL11066635 0.86 MEN1 (0.45) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL2674642 0.83 MEN1 (0.53) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL11203046 0.83 MAPK1 (0.54) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL11203044 0.83 MAPK1 (0.54) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL11197901 0.80 KMT2A (0.53) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL11056066 0.80 KMT2A (0.53) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL6922150 0.79 MEN1 (0.51) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL28587970 0.78 MAPK1 (0.62) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL11740426 0.78 MAPK1 (0.62) MEN1KMT2AMAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464307-A Substituted acid chloride process ZOECON CORPORATION (US) 1984-08-07 US disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed