SCHEMBL9570735

SCHEMBL9570735

Cc1ccc(C(CO)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
CHRNA7 P36544 1/20 0.35
ACHE P22303 4/20 0.35
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
STAT3 P40763 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL9570823 0.83 ESR1 (0.44) ESR1ESR2ALDH1A1
SCHEMBL9570698 0.81 ESR1 (0.46) ESR1ESR2CTSL
SCHEMBL9570755 0.80 ABCB11 (0.46) ESR1ESR2TDP1CA2ALDH1A1
SCHEMBL9570866 0.80 LMNA (0.44) ESR1ESR2AKR1C3AKR1C2TDP1
SCHEMBL9570673 0.80 ESR1 (0.50) ESR1ESR2AKR1C3AKR1C2TDP1
SCHEMBL9570729 0.79 ESR1 (0.44) ESR1ESR2CTSLCTSBCTSS
SCHEMBL9862583 0.79 ESR1 (0.44) ESR1ESR2
SCHEMBL9560934 0.79 ESR1 (0.44) ESR1ESR2TDP1GAA
SCHEMBL9570660 0.79 ESR1 (0.44) ESR1ESR2
SCHEMBL9570752 0.79 ESR1 (0.37) ESR1ESR2ALDH1A1

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 3 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
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US 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