SCHEMBL4431199

SCHEMBL4431199

Cc1ccc(C(F)(F)F)cc1-c1[c]ccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
AGPAT2 O15120 1/20 0.40
PDE2A O00408 5/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
MCL1 Q07820 3/20 0.33
CETP P11597 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
TMPRSS4 Q9NRS4 2/20 0.33
AHR P35869 1/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL4439151 0.86 NOTUM (0.43) NOTUMPDE2AMCL1PTGDR2
SCHEMBL4439285 0.84 PDE2A (0.39) PDE2AMCL1AHR
SCHEMBL4432696 0.83 IDO1 (0.41) NOTUMAGPAT2
SCHEMBL4563986 0.81 L3MBTL1 (0.36) PDE2AMCL1PTGDR2TMPRSS4AHR
SCHEMBL4429951 0.81 KCNQ3 (0.42) CETPPTGDR2
SCHEMBL4427424 0.80 ALDH1A1 (0.35)
SCHEMBL4436863 0.78 AGPAT2 (0.37) AGPAT2
SCHEMBL4429675 0.77 PDE2A (0.39) PDE2AMCL1HSD11B1
SCHEMBL4432361 0.75 ALDH1A1 (0.33)
SCHEMBL4062697 0.75 KIF11 (0.41) NOTUMTMPRSS4AHR

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
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed