SCHEMBL9570646

SCHEMBL9570646

CCCOc1ccc(C(C=O)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ACACB O00763 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACA Q13085 3/20 0.40
LTA4H P09960 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PLK1 P53350 1/20 0.40
CXCL12 P48061 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9570747 0.87 NQO1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL9570869 0.78 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL9570650 0.78 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7518807 0.76 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL9570578 0.76 ALDH1A3 (0.50) ACACBKMT2AACACAALDH1A1GAA
SCHEMBL9570671 0.76 THRB (0.38) CA2ACACBKMT2AACACAL3MBTL1
SCHEMBL9570882 0.75 PDE2A (0.42) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL9570843 0.75 TSHR (0.41) CA2L3MBTL1PLK1ALDH1A1MAPT
SCHEMBL9570861 0.74 LTA4H (0.46) CA12CA1CA2CA7CA9
SCHEMBL9570593 0.73 DRD1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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