SCHEMBL9561404

SCHEMBL9561404

CCOc1c(F)cc([C@@H](COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.44
FFAR1 O14842 4/20 0.41
FFAR4 Q5NUL3 2/20 0.37
LTA4H P09960 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
SCHEMBL9561317 1.00 CETP (0.44) CETPFFAR1FFAR4LTA4H
SCHEMBL9561550 0.92 ALDH1A1 (0.39) CETPFFAR1FFAR4
SCHEMBL9636928 0.92 ALDH1A1 (0.39) CETPFFAR1FFAR4
SCHEMBL9560358 0.88 CETP (0.43) CETPFFAR1FFAR4
SCHEMBL9561522 0.88 FFAR1 (0.33) CETPFFAR1LTA4H
SCHEMBL9561294 0.88 FFAR1 (0.33) CETPFFAR1LTA4H
SCHEMBL9561406 0.87 FFAR1 (0.51) CETPFFAR1FFAR4LTA4H
SCHEMBL409247 0.87 FFAR1 (0.51) CETPFFAR1FFAR4LTA4H
SCHEMBL9804424 0.83 CETP (0.44) CETP
SCHEMBL7930457 0.83 CETP (0.45) CETPFFAR1FFAR4

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