SCHEMBL9570656

SCHEMBL9570656

CCCc1ccc(C(CO)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
ACACB O00763 2/20 0.38
KMT2A Q03164 1/20 0.38
ACACA Q13085 1/20 0.38
THRB P10828 2/20 0.37
PLK1 P53350 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
FAAH O00519 1/20 0.35
PDK2 Q15119 1/20 0.35
CA2 P00918 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9570673 0.85 ESR1 (0.50) ESR1ESR2LPLLIPGKMT2A
SCHEMBL8236211 0.78 LPL (0.42) ESR1ESR2LPLLIPGACACB
SCHEMBL9570735 0.77 ESR1 (0.44) ESR1ESR2CA2
SCHEMBL9570823 0.77 ESR1 (0.44) ESR1ESR2
SCHEMBL9570861 0.76 LTA4H (0.46) ACACBKMT2AACACAPLK1CA2
SCHEMBL19393176 0.76 KMT2A (0.40) ESR1ESR2LPLLIPGACACB
SCHEMBL9560409 0.75 NQO1 (0.50) ACACBKMT2ACNR2L3MBTL1
SCHEMBL10555386 0.75 NQO1 (0.50) ACACBKMT2ACNR2L3MBTL1
SCHEMBL9561666 0.75 NQO1 (0.50) ACACBKMT2ACNR2L3MBTL1
SCHEMBL10612175 0.75 LPL (0.47) ESR1ESR2LPLLIPGACACB

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