SCHEMBL9570870

SCHEMBL9570870

CC1(C)Cc2cc(C(C=O)C(F)(F)F)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
HIF1A Q16665 4/20 0.34
EPAS1 Q99814 4/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
OGA O60502 1/20 0.31
HTR2A P28223 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL9570811 0.76 MAPT (0.34) MAPTHIF1AEPAS1KDM4EALDH1A1
SCHEMBL12035990 0.75 HPGD (0.40) MAPTHIF1AEPAS1KDM4EALDH1A1
SCHEMBL9570604 0.73 HDAC3 (0.49) MAPTOGA
SCHEMBL9570821 0.73 TDP1 (0.46) MAPTKDM4EALDH1A1OGAHTR2A
SCHEMBL9570648 0.71 EDNRA (0.47) KDM4EALDH1A1
SCHEMBL2558135 0.70 ALDH1A1 (0.44) MAPTHIF1AEPAS1KDM4EALDH1A1
SCHEMBL9570896 0.69 KMT2A (0.36) ALDH1A1
SCHEMBL9570602 0.69 KMT2A (0.39) ALDH1A1
SCHEMBL15724661 0.68 AKR1B1 (0.46) MAPTHIF1AEPAS1KDM4EALDH1A1
SCHEMBL5546004 0.68 MAPT (0.44) MAPTHIF1AEPAS1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed