SCHEMBL9561522

SCHEMBL9561522

CCOc1c(F)cc([C@@H](COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.33
CETP P11597 1/20 0.33
TACR1 P25103 5/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
LTA4H P09960 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TTR P02766 1/20 0.31
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9561294 1.00 FFAR1 (0.33) FFAR1CETPTACR1CACNA1FCACNA1D
SCHEMBL409992 0.90 LTA4H (0.41) FFAR1CETPCACNA1CLTA4HLMNA
SCHEMBL9561317 0.88 CETP (0.44) FFAR1CETPLTA4H
SCHEMBL9561404 0.88 CETP (0.44) FFAR1CETPLTA4H
SCHEMBL9570771 0.85 FFAR1 (0.35) FFAR1CETPTACR1CACNA1FCACNA1D
SCHEMBL9570666 0.85 TACR1 (0.35) FFAR1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9570790 0.85 EGFR (0.36) FFAR1MAPTATML3MBTL1TTR
SCHEMBL9570826 0.84 LTA4H (0.38) FFAR1CETPLTA4HPPARGPPARD
SCHEMBL9804252 0.84 FDFT1 (0.35) CETPLTA4HLMNAMAPTATM
SCHEMBL9560897 0.84 FFAR1 (0.37) FFAR1TACR1CACNA1FCACNA1DCACNA1S

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 3 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
EP-0276558-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
EP-0276558-A2 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-03 EP disclosed