SCHEMBL4609343

SCHEMBL4609343

Cc1[c]cc(C(C)C)c(-c2cc(C)ccc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TRPA1 O75762 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
ALKBH3 Q96Q83 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
LRRK2 Q5S007 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL5086321 0.83 ALKBH3 (0.36) LMNAALKBH3HTR2ASLC6A4KCNH2
SCHEMBL3664944 0.74 RAPGEF4 (0.35) ALKBH3LRRK2
SCHEMBL10798128 0.74 LMNA (0.39) LMNA
SCHEMBL4609341 0.72 ALKBH3 (0.34) LMNAALKBH3MAOAMAOB
SCHEMBL2737284 0.69 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL3412996 0.69 ALKBH3 (0.36) LMNAALKBH3LRRK2MAOAMAOB
SCHEMBL6668337 0.69 TRPA1 (0.60) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL30320821 0.69 TRPA1 (0.60) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL5086316 0.68 ALKBH3 (0.35) LMNAHTR2BALKBH3LRRK2MAOA
SCHEMBL3412999 0.67 ALKBH3 (0.34) ALKBH3LRRK2

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
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