SCHEMBL4428503

SCHEMBL4428503

CCCc1c[c]c(OC)c(-c2cc(CC)ccc2Br)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4437892 0.82 L3MBTL1 (0.31)
SCHEMBL4428506 0.76 GABRA1 (0.34) GABRA1GABRB2ALOX5
SCHEMBL4609040 0.76 CNR1 (0.40) CNR1CNR2ALOX5
SCHEMBL4609044 0.69 CNR1 (0.38) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL13698783 0.67 PTGS2 (0.52) ALDH1A1
SCHEMBL3669188 0.67 S100A4 (0.32)
SCHEMBL6536199 0.67 ACHE (0.40) GABRA1GABRB2ALDH1A1
SCHEMBL4439142 0.66 S100A4 (0.31)
SCHEMBL4439373 0.66 AMY1A (0.33) ALDH1A1
SCHEMBL4429902 0.65

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