SCHEMBL9560797

SCHEMBL9560797

CCOc1ccc(C(O)(COCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.38
PPARD Q03181 6/20 0.38
ALDH1A1 P00352 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
LMNA P02545 3/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOB P27338 1/20 0.34
CETP P11597 2/20 0.34
BRD4 O60885 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9560382 0.93 FFAR1 (0.41) FFAR1PPARDMRGPRX4PPARGPPARA
SCHEMBL9560888 0.91 ALDH1A1 (0.39) FFAR1ALDH1A1LMNAPPARGPPARA
SCHEMBL9560883 0.91 ALDH1A1 (0.39) FFAR1ALDH1A1LMNAPPARGPPARA
SCHEMBL9560497 0.89 ALDH1A1 (0.41) FFAR1ALDH1A1MRGPRX4LMNAPPARG
SCHEMBL9560874 0.88 ALDH1A1 (0.38) FFAR1PPARDALDH1A1MRGPRX4LMNA
SCHEMBL9561343 0.83 CETP (0.41) FFAR1CETP
SCHEMBL9561335 0.83 CETP (0.41) FFAR1CETP
SCHEMBL9560412 0.81 LTA4H (0.46) FFAR1MRGPRX4LMNASMN1; SMN2CETP
SCHEMBL9560723 0.81 FFAR1 (0.39) FFAR1PPARDALDH1A1PPARGPPARA
SCHEMBL9560407 0.81 LMNA (0.40) FFAR1ALDH1A1LMNAPPARGPPARA

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