SCHEMBL9570827

SCHEMBL9570827

Cc1ccc(C(C=O)C(F)(F)F)cc1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9570654 0.79 CYP2A6 (0.38) ALDH1A1
SCHEMBL9570800 0.76 NPSR1 (0.40) TP53ALDH1A1
SCHEMBL9570822 0.76 CES2 (0.40)
SCHEMBL9570662 0.76 ALDH1A1 (0.41) TP53LMNAALDH1A1
SCHEMBL9570796 0.75 TYR (0.48) LMNAALDH1A1
SCHEMBL2556425 0.74 TDP1 (0.39) TP53LMNAALDH1A1
SCHEMBL13703416 0.74 ESR1 (0.48) TP53LMNAALDH1A1
SCHEMBL15071422 0.74 ALDH1A1 (0.36) TP53LMNAALDH1A1
SCHEMBL9570854 0.74 TSHR (0.44) ALDH1A1
SCHEMBL23983161 0.72 LMNA (0.39) TP53LMNAALDH1A1

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