SCHEMBL9680454

SCHEMBL9680454

CC(CCCc1cccc(Oc2ccc(Cl)cc2)c1)(c1ccc(OC(F)(F)F)cc1)C(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 10/20 0.43
FDFT1 P37268 4/20 0.42
CNR1 P21554 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK14 Q16539 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL9682172 0.93 MAPK14 (0.45) CETPFDFT1MAPK14
SCHEMBL9785758 0.84 CETP (0.43) CETPCNR1TRPV1ALDH1A1MAPK14
SCHEMBL10626804 0.81 FDFT1 (0.43) CETPFDFT1PPARGPPARA
SCHEMBL9680483 0.81 LTA4H (0.36) CETPMAPK14PPARG
SCHEMBL10738877 0.81 FDFT1 (0.44) FDFT1ALDH1A1PPARGPPARA
SCHEMBL10628676 0.80 CETP (0.44) CETPFDFT1MAPK14PPARG
SCHEMBL10626836 0.80 LTA4H (0.46) CETPFDFT1PPARG
SCHEMBL10628872 0.80 FDFT1 (0.42) CETPFDFT1ALDH1A1PPARGPPARA
SCHEMBL10628899 0.80 FDFT1 (0.47) FDFT1
SCHEMBL9557901 0.79 MAPK14 (0.48) CETPFDFT1MAPK14PPARGCHRM2

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 2 patents. 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
EP-0361695-A2 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-04 EP disclosed