SCHEMBL4608994

SCHEMBL4608994

CCc1cc(CC)n(-c2cc[c]c(C)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL27978150 0.81 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL4607252 0.80 PTGS1 (0.36)
SCHEMBL28050452 0.73 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL4608993 0.72 CA12 (0.43) CA12CA1CA2CA9
SCHEMBL24185315 0.71 CA1 (0.42) CA12CA1CA2CA9
SCHEMBL1875312 0.71 CA12 (0.42) CA12CA1CA2CA9
SCHEMBL18092965 0.71 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL27920415 0.70 RAB9A (0.44) CA1CA2CA9
SCHEMBL5139437 0.69 MAPT (0.45)
SCHEMBL1875544 0.69 LMNA (0.46) 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