SCHEMBL9444331

SCHEMBL9444331

CCOC(=O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.84
ALDH1A1 P00352 13/20 0.84
HPGD P15428 10/20 0.84
GAA P10253 8/20 0.66
CASP1 P29466 7/20 0.66
HSD17B10 Q99714 7/20 0.66
CASP7 P55210 4/20 0.54
LMNA P02545 1/20 0.52
GLA P06280 6/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL11107565 0.92 KDM4E (1.00) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL4348338 0.85 KDM4E (0.60) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL9444346 0.81 KDM4E (0.68) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL9444270 0.81 KDM4E (0.64) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL31260252 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL11106592 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL11125976 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL4351260 0.77 KDM4E (0.76) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL9444246 0.77 KDM4E (0.74) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL11488021 0.76 KDM4E (0.64) KDM4EALDH1A1HPGDGAACASP1

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
US-5268386-A Containing a carboxy group SHIONOGI & CO., LTD. (JP) 1993-12-07 US disclosed