SCHEMBL9570650

SCHEMBL9570650

C=CCOc1ccc(C(C=O)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA9 Q16790 3/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
AGER Q15109 1/20 0.39
POLB P06746 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
APOBEC3A P31941 1/20 0.38
CASP6 P55212 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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 0.81 NQO1 (0.47) CA12CA1CA9CA2CA7
SCHEMBL9570646 0.78 CA12 (0.41) CA12CA1CA9CA2CA7
SCHEMBL9418032 0.78 CYP2D6 (0.46) CA12CA1CA9CA2CA7
SCHEMBL9570912 0.76 CA12 (0.41) CA12CA1CA9CA2CA7
SCHEMBL9570836 0.76 ALDH1A1 (0.38) MEN1KMT2ACYP2D6MAPTSMN1; SMN2
SCHEMBL9570869 0.75 ALDH1A1 (0.44) CA12CA1CA9CA2CA7
SCHEMBL9570882 0.75 PDE2A (0.42) MEN1KMT2AMAPTALDH1A1
SCHEMBL9551798 0.75 POLB (0.44) CA12CA1CA9CA2CA7
SCHEMBL16641008 0.74 CA12 (0.52) CA12CA1CA9CA2CA7
SCHEMBL15869154 0.74 CA12 (0.52) CA12CA1CA9CA2CA7

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