SCHEMBL4609044

SCHEMBL4609044

CCCc1ccc(Br)c(-c2cc(CC)[c]cc2CC)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALOX5 P09917 2/20 0.35
CA2 P00918 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL4609040 0.74 CNR1 (0.40) CNR1CNR2ALOX5
SCHEMBL4428506 0.72 GABRA1 (0.34) ALOX5GABRA1GABRB2
SCHEMBL15063702 0.69 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL4428503 0.69 CNR1 (0.34) CNR1CNR2ALOX5GABRA1GABRB2
SCHEMBL1755691 0.68 CNR1 (0.44) CNR1CNR2ALOX5CA2GABRA1
SCHEMBL4607468 0.67
SCHEMBL2222181 0.67 MAOB (0.35) CA2GABRA1GABRB2POLB
SCHEMBL15063617 0.66 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL2588081 0.66 LPL (0.38) CNR1CNR2CA2POLBCTDSP1
SCHEMBL21677170 0.66 CNR1 (0.48) CNR1CNR2ALOX5CA2POLB

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