SCHEMBL9560424

SCHEMBL9560424

FC(F)(F)Oc1ccc(C(Cl)(COCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
CETP P11597 8/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
TACR1 P25103 1/20 0.36
MAOB P27338 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL9560464 0.93 MAPK14 (0.47) MAPK14CETPMRGPRX4TACR1MAOB
SCHEMBL9560848 0.87 ALDH1A1 (0.42) CETPALDH1A1PPARGPPARALMNA
SCHEMBL9560778 0.87 ALDH1A1 (0.39) CETPALDH1A1PPARGPPARALMNA
SCHEMBL9560703 0.86 MAPK14 (0.42) MAPK14CETPCNR1ALDH1A1TRPV1
SCHEMBL9560366 0.82 KDM4E (0.48) MAPK14CETPCNR1ALDH1A1LMNA
SCHEMBL9785758 0.82 CETP (0.43) MAPK14CETPCNR1ALDH1A1TRPV1
SCHEMBL9561663 0.82 ALDH1A1 (0.39) CETPALDH1A1PPARGPPARALMNA
SCHEMBL9560835 0.82 MAOB (0.45) CETPALDH1A1PPARGPPARALMNA
SCHEMBL9561658 0.82 ALDH1A1 (0.39) CETPALDH1A1PPARGPPARALMNA
SCHEMBL9560352 0.81 FFAR1 (0.42) CETPCNR1ALDH1A1LMNATACR1

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