SCHEMBL4608993

SCHEMBL4608993

CCc1cc(CC)n(-c2ccc[c]c2C)n1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL28807614 0.74 CA12 (0.49) CA12CA1CA2CA9
SCHEMBL28050452 0.72 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL4610878 0.72 CA12 (0.47) CA12CA1CA2CA9
SCHEMBL15442132 0.72 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL4608994 0.72 CA12 (0.39) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL2542251 0.71 CA12 (0.46) CA12CA1CA2CA9
SCHEMBL5139436 0.70 KDM4E (0.51) CA12CA1CA2CA9
SCHEMBL6574046 0.69 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL6574377 0.69 CA12 (0.47) CA12CA1CA2CA9
SCHEMBL27978150 0.66 CA12 (0.39) CA12CA1CA2CA9

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