SCHEMBL11568484

SCHEMBL11568484

COC(=O)c1cc(OC)c(N)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.76
GAA P10253 4/20 0.72
POLB P06746 3/20 0.59
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
CFTR P13569 2/20 0.48
ABL1 P00519 1/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 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
SCHEMBL8902306 0.92 GAA (0.67) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL29424850 0.90 GAA (0.74) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL6473999 0.90 GAA (0.74) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL31305136 0.90 KDM4E (0.72) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL2900351 0.89 KDM4E (0.82) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL6582728 0.88 KDM4E (0.67) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL31408659 0.86 KDM4E (1.00) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL372600 0.86 KDM4E (1.00) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL15797275 0.85 KDM4E (0.66) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL31738319 0.85 KDM4E (0.71) KDM4EGAAPOLBALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002231-A1 1-N-aryl-1,4-dihydropyridines, process for their preparation and their pharmaceutical application BAYER AG (DE) 1979-06-13 EP disclosed