SCHEMBL9560787

SCHEMBL9560787

Fc1ccc(COCC(Cl)(c2ccc(Cl)cc2)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TTR P02766 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
LMNA P02545 3/20 0.33
FFAR1 O14842 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 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
SCHEMBL9561293 0.93 LMNA (0.35) L3MBTL1HTR2ASLC6A4TTRMRGPRX4
SCHEMBL9560696 0.91 TACR1 (0.36) TTRMRGPRX4TACR1
SCHEMBL9560860 0.90 CHRM5 (0.36) SLC6A4TTRMRGPRX4TACR1
SCHEMBL9560804 0.90 TTR (0.39) L3MBTL1ALDH1A1GAAHTTTTR
SCHEMBL9560383 0.89 TTR (0.34) ALDH1A1GAATTRFFAR1NPSR1
SCHEMBL9560321 0.89 MAPT (0.40) L3MBTL1SLC6A4ALDH1A1GAAATM
SCHEMBL9560951 0.88 L3MBTL1 (0.35) L3MBTL1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL9560836 0.87 MAPT (0.41) L3MBTL1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL9560709 0.86 L3MBTL1 (0.36) L3MBTL1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL9637902 0.86 L3MBTL1 (0.33) L3MBTL1ATMTTRMRGPRX4LMNA

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