SCHEMBL9560409

SCHEMBL9560409

CCOc1ccc(C(CO)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
LTA4H P09960 2/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ACACB O00763 5/20 0.41
PARP10 Q53GL7 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL9561666 1.00 NQO1 (0.50) NQO1LTA4HTSHRTDP1MEN1
SCHEMBL10555386 1.00 NQO1 (0.50) NQO1LTA4HTSHRTDP1MEN1
SCHEMBL9570861 0.86 LTA4H (0.46) LTA4HMEN1KMT2AL3MBTL1ACACB
SCHEMBL7922514 0.82 NQO1 (0.50) NQO1LTA4HTSHRTDP1MEN1
SCHEMBL4332048 0.82 NQO1 (0.50) NQO1LTA4HTSHRTDP1MEN1
SCHEMBL4332044 0.82 NQO1 (0.50) NQO1LTA4HTSHRTDP1MEN1
SCHEMBL9570755 0.81 ABCB11 (0.46) TSHRTDP1L3MBTL1
SCHEMBL9570590 0.79 PTPN5 (0.43) KMT2AACACBPARP10CNR2MAPT
SCHEMBL9570912 0.78 CA12 (0.41) MEN1KMT2ALMNAADRA2AMAPT
SCHEMBL9804428 0.78 NQO1 (0.45) NQO1LTA4HTSHRTDP1MEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1075437-A None JP disclosed
JP-3041039-A None JP disclosed
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
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-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0276558-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
JP-H0341039-A NOVEL COMPOUND IMPERIAL CHEM IND PLC <ICI> 1991-02-21 JP disclosed
US-4988826-A Fluoroalkylstyrene derivatives as intermediates for insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-29 US disclosed
US-4891450-A FLUORINE-CONTAINING ARYLALKENES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-02 US disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0280383-A1 Process for intermediates for insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-31 EP disclosed
EP-0276558-A2 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-03 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
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed