SCHEMBL9570833

SCHEMBL9570833

CCOc1ccc(C(C=O)C(F)(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
FFAR1 O14842 1/20 0.38
TUBB1 Q9H4B7 1/20 0.37
PDE2A O00408 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL9570620 0.84 ERN1 (0.43) PTGS2L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL9570747 0.77 NQO1 (0.47) ALDH1A1LMNAPOLBACACB
SCHEMBL9570822 0.76 CES2 (0.40)
SCHEMBL9570629 0.75 KDM1A (0.40) KDM1APTGS2PTGS1FFAR1TUBB1
SCHEMBL8228423 0.75 KDM1A (0.47) KDM1APTGS2PTGS1FFAR1TUBB1
SCHEMBL9570854 0.74 TSHR (0.44) PTGS2PTGS1L3MBTL1CYP1A2CYP2C9
SCHEMBL25049236 0.73 KDM1A (0.46) KDM1APTGS2PTGS1FFAR1TUBB1
SCHEMBL20032293 0.73 KDM1A (0.46) KDM1APTGS2PTGS1FFAR1TUBB1
SCHEMBL16952459 0.73 KDM1A (0.43) KDM1APTGS2PTGS1FFAR1TUBB1
SCHEMBL16955266 0.72 KDM1A (0.45) KDM1APTGS2PTGS1FFAR1TUBB1

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