SCHEMBL11111608

SCHEMBL11111608

O=C1CC2(CCCC2)Oc2ccc(O)cc21

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.68
ATM Q13315 3/20 0.67
HTT P42858 1/20 0.67
MAPT P10636 1/20 0.63
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 6/20 0.52
HPGD P15428 4/20 0.52
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
HSD17B10 Q99714 2/20 0.49
AKT1 P31749 1/20 0.49
GAA P10253 3/20 0.47
LMNA P02545 1/20 0.47
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47

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
SCHEMBL9444261 0.98 KDM4E (0.69) KDM4EATMHTTMAPTKMT2A
SCHEMBL619914 0.97 KDM4E (0.64) KDM4EATMHTTMAPTKMT2A
SCHEMBL471516 0.88 HDAC3 (0.63) KDM4EATMHTTMAPTKMT2A
SCHEMBL11114046 0.88 KDM4E (0.63) KDM4EATMHTTMAPTKMT2A
SCHEMBL1933585 0.86 KDM4E (0.61) KDM4EATMHTTMAPTKMT2A
SCHEMBL619664 0.84 KDM4E (0.63) KDM4EATMHTTMAPTKMT2A
SCHEMBL1829468 0.84 KDM4E (0.68) KDM4EATMHTTMAPTKMT2A
SCHEMBL1828856 0.83 KDM4E (0.69) KDM4EATMHTTMAPTKMT2A
SCHEMBL1821870 0.83 KDM4E (0.69) KDM4EATMHTTMAPTKMT2A
SCHEMBL471249 0.81 HDAC3 (0.61) KDM4EATMHTTMAPTKMT2A

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