SCHEMBL11113740

SCHEMBL11113740

O=C1CC2(CCCC2)Oc2c(O)cc(O)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 1/20 0.38
AKT1 P31749 2/20 0.37
HPGD P15428 3/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35

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
SCHEMBL620525 0.75 KDM4E (0.42) KDM4EHTTATMCNR1CNR2
SCHEMBL11110017 0.75 ALDH1A1 (0.63) KDM4EHTTATMKMT2AALDH1A1
SCHEMBL11111608 0.75 KDM4E (0.68) KDM4EHTTATMKMT2AALDH1A1
SCHEMBL9444249 0.74 ALDH1A1 (0.61) KDM4EHTTATMKMT2AALDH1A1
SCHEMBL9444261 0.74 KDM4E (0.69) KDM4EHTTATMKMT2AALDH1A1
SCHEMBL9444308 0.74 PSMB5 (0.49) KDM4EHTTATMKMT2AALDH1A1
SCHEMBL15545297 0.74 ALDH1A1 (0.37) KDM4EALDH1A1MAPTAKT1
SCHEMBL11112232 0.73 KDM4E (0.40) KDM4EHTTATMKMT2AALDH1A1
SCHEMBL11107901 0.72 KDM4E (0.42) KDM4EHTTATMKMT2AALDH1A1
SCHEMBL4508936 0.72 ALDH1A1 (0.63) KDM4EHTTATMKMT2AALDH1A1

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-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4185112-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 US disclosed