SCHEMBL9560709

SCHEMBL9560709

OC(COCc1ccc(F)c(Oc2ccccc2)c1)(c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34
FFAR1 O14842 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
PNLIP P16233 2/20 0.33
CHRM3 P20309 2/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL9560585 0.92 MAPK14 (0.39) MRGPRX4SMN1; SMN2FFAR1PPARG
SCHEMBL9560403 0.92 NR3C2 (0.37) L3MBTL1SMN1; SMN2LMNACHRM3TTR
SCHEMBL9560793 0.90 NR4A1 (0.36) KCNH2CHRM3TTR
SCHEMBL9560800 0.90 SMN1; SMN2 (0.35) MRGPRX4SMN1; SMN2SLC6A4CHRM3TTR
SCHEMBL9561340 0.89 LTA4H (0.38) MRGPRX4SLC6A4KCNH2
SCHEMBL9560878 0.89 LMNA (0.41) L3MBTL1HTTALDH1A1GAASMN1; SMN2
SCHEMBL9560338 0.89 ALOX5 (0.33) GAAFFAR1PPARG
SCHEMBL9560339 0.88 MAPT (0.40) L3MBTL1ALDH1A1GAAATMMRGPRX4
SCHEMBL9560512 0.88 LMNA (0.40) L3MBTL1ATMMRGPRX4SMN1; SMN2LMNA
SCHEMBL9560951 0.87 L3MBTL1 (0.35) L3MBTL1HTTALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed