SCHEMBL9570822

SCHEMBL9570822

O=CC(c1ccc(F)c(F)c1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
PDPK1 O15530 1/20 0.31
DPP4 P27487 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
MME P08473 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
SCHEMBL9570876 0.78 IDO1 (0.35) CES2CES1
SCHEMBL9570662 0.77 ALDH1A1 (0.41)
SCHEMBL9570833 0.76 KDM1A (0.40)
SCHEMBL9570777 0.76 TSHR (0.40)
SCHEMBL8330636 0.76 HDAC4 (0.42) CES2CES1
SCHEMBL9570827 0.76 TP53 (0.31)
SCHEMBL9570713 0.74 ACP3 (0.40) DPP4DPP7
SCHEMBL28165420 0.74 CES2 (0.43) CES2CES1PDPK1MME
SCHEMBL27924423 0.74 CES2 (0.43) CES2CES1PDPK1DPP4DPP9
SCHEMBL9570796 0.72 TYR (0.48)

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