SCHEMBL9682172

SCHEMBL9682172

CC(CCCc1cccc(Oc2ccccc2)c1)(c1ccc(OC(F)(F)F)cc1)C(F)F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.45
CETP P11597 14/20 0.44
FDFT1 P37268 4/20 0.42
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL9680454 0.93 CETP (0.43) MAPK14CETPFDFT1
SCHEMBL10626804 0.88 FDFT1 (0.43) CETPFDFT1
SCHEMBL10628676 0.87 CETP (0.44) MAPK14CETPFDFT1
SCHEMBL10626836 0.87 LTA4H (0.46) CETPFDFT1LTA4H
SCHEMBL10628872 0.87 FDFT1 (0.42) CETPFDFT1
SCHEMBL9557901 0.86 MAPK14 (0.48) MAPK14CETPFDFT1LTA4HEPHX2
SCHEMBL10628899 0.86 FDFT1 (0.47) FDFT1
SCHEMBL9680483 0.85 LTA4H (0.36) MAPK14CETPLTA4HEPHX2
SCHEMBL10628771 0.85 CETP (0.45) CETPFDFT1LTA4H
SCHEMBL10544623 0.83 CETP (0.46) CETPFDFT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091416-A INSECTICIDAL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-25 US disclosed