SCHEMBL9560714

SCHEMBL9560714

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 9/20 0.38
PPARD Q03181 4/20 0.37
CETP P11597 3/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
EGFR P00533 1/20 0.35
LCK P06239 1/20 0.35
BRD4 O60885 1/20 0.33
LMNA P02545 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
SCHEMBL9560358 0.92 CETP (0.43) FFAR1PPARDCETPMRGPRX4BRD4
SCHEMBL29370536 0.89 FFAR1 (0.44) ALDH1A1FFAR1CETPMRGPRX4PPARG
SCHEMBL118655 0.89 FFAR1 (0.44) ALDH1A1FFAR1CETPMRGPRX4PPARG
SCHEMBL9862593 0.89 FFAR1 (0.44) ALDH1A1FFAR1CETPMRGPRX4PPARG
SCHEMBL9561550 0.89 ALDH1A1 (0.39) ALDH1A1FFAR1CETPPPARGPPARA
SCHEMBL9636928 0.89 ALDH1A1 (0.39) ALDH1A1FFAR1CETPPPARGPPARA
SCHEMBL9570798 0.87 PPARA (0.41) FFAR1PPARDCETPMRGPRX4PPARG
SCHEMBL9560890 0.86 CETP (0.44) ALDH1A1FFAR1CETPPPARGPPARA
SCHEMBL9570756 0.86 CETP (0.42) FFAR1PPARDCETPMRGPRX4PPARA
SCHEMBL9570809 0.84 CETP (0.42) ALDH1A1FFAR1CETPPPARGPPARA

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