SCHEMBL6018432

SCHEMBL6018432

CC(=O)Nc1cc(OC(C)=O)ccc1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CASP1 P29466 2/20 0.57
HSD17B10 Q99714 2/20 0.57
GLA P06280 1/20 0.57
HPGD P15428 1/20 0.57
CASP7 P55210 1/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
MAPT P10636 3/20 0.47
HTT P42858 3/20 0.47
MAPK1 P28482 2/20 0.46
LMNA P02545 4/20 0.46
TP53 P04637 2/20 0.46
S1PR2 O95136 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 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
SCHEMBL13841104 0.90 KMT2A (0.62) KDM4EGAAALDH1A1HPGDKMT2A
SCHEMBL27451728 0.83 KDM4E (0.54) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL3657487 0.83 ACHE (0.54) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL1432838 0.81 ALDH1A1 (0.50) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL10891696 0.81 KMT2A (0.57) KDM4EGAAALDH1A1HSD17B10KMT2A
SCHEMBL23417965 0.81 KDM4E (0.52) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL5085232 0.81 MEN1 (0.57) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL6947577 0.80 BRD4 (0.67) KDM4EGAAALDH1A1KMT2AMEN1
SCHEMBL21464391 0.80 KDM4E (0.61) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL5084561 0.80 GAA (0.51) KDM4EGAAALDH1A1CASP1HSD17B10

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-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 EP disclosed