SCHEMBL3663441

SCHEMBL3663441

COc1[c]cc(C(F)(F)F)cc1-c1cc(C)ccc1Br

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
KIF11 P52732 1/20 0.31

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 0.77 L3MBTL1 (0.31)
SCHEMBL3669188 0.76 S100A4 (0.32)
SCHEMBL3409117 0.73 HTT (0.42)
SCHEMBL4429902 0.73
SCHEMBL3663442 0.73 MEN1 (0.33)
SCHEMBL3670533 0.69 BIRC5 (0.38)
SCHEMBL13407668 0.68 ALDH1A1 (0.43)
SCHEMBL6221853 0.68 CACNA1H (0.33)
SCHEMBL16858738 0.66 KMT2A (0.35)
SCHEMBL4439373 0.66 AMY1A (0.33)

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-2238133-A2 FUNGICIDAL AMIDES E. I. du Pont de Nemours and Company (US) 2010-10-13 EP disclosed
WO-2009094407-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-30 WO disclosed