SCHEMBL8730848

SCHEMBL8730848

CCC(CC)(CC)Nc1ccc(C)c(Cl)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 3/20 0.41
METTL3 Q86U44 2/20 0.38
PTGS2 P35354 4/20 0.36
POLB P06746 2/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
CLIC1 O00299 1/20 0.34
CXCL8 P10145 1/20 0.34
TTR P02766 2/20 0.33
MEN1 O00255 1/20 0.33
AKR1B10 O60218 1/20 0.33
ABCB11 O95342 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
FABP2 P12104 1/20 0.33
RXRA P19793 1/20 0.33
TBXA2R P21731 1/20 0.33
NR4A1 P22736 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL8732726 0.87 CLCN2 (0.40) CLCN2METTL3PTGS2POLBALDH1A1
SCHEMBL8735058 0.87 CLCN2 (0.40) CLCN2METTL3PTGS2POLBALDH1A1
SCHEMBL8735208 0.87 CDC7 (0.38) CLCN2METTL3POLBALDH1A1LMNA
SCHEMBL8735259 0.83 CLCN2 (0.43) CLCN2METTL3PTGS2POLBALDH1A1
SCHEMBL8735191 0.81 PTGS2 (0.41) METTL3PTGS2POLBALDH1A1LMNA
SCHEMBL8735053 0.78 HPGD (0.47) POLBALDH1A1LMNAGAAHTT
SCHEMBL8730869 0.73 CDC7 (0.37) CLCN2POLBALDH1A1LMNAMEN1
SCHEMBL8735080 0.73 CDC7 (0.37) CLCN2PTGS2POLBALDH1A1LMNA
SCHEMBL4640149 0.70 CLCN2 (0.47) CLCN2METTL3PTGS2POLBALDH1A1
SCHEMBL8735823 0.70 PTGS2 (0.41) PTGS2POLBALDH1A1LMNAKMT2A

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
EP-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP disclosed