SCHEMBL4438741

SCHEMBL4438741

CCOCCc1cccc(Oc2cc(C)c(N=CN(C)CC)cc2C)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ACHE P22303 1/20 0.31
CYP2D6 P10635 2/20 0.30
AOC3 Q16853 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
SCHEMBL4430901 0.91 ACACB (0.34) FFAR1FFAR4ACHECYP2D6AOC3
SCHEMBL4430577 0.88 CYP4F2 (0.36) FFAR1FFAR4ACHEAOC3
SCHEMBL2987662 0.86 CYP4F2 (0.37) FFAR1FFAR4ACHECYP2D6
SCHEMBL4428246 0.86 FFAR1 (0.31) FFAR1FFAR4ACHEAOC3
SCHEMBL2987664 0.86 CYP4F2 (0.37) FFAR1FFAR4ACHECYP2D6
SCHEMBL2988680 0.85 NR1H2 (0.36) FFAR1FFAR4ACHE
SCHEMBL2988678 0.85 NR1H2 (0.36) FFAR1FFAR4ACHE
SCHEMBL4430696 0.85 ACHE (0.35) FFAR1FFAR4ACHE
SCHEMBL2985567 0.83
SCHEMBL12710247 0.83

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-2136628-A2 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-30 EP claimed
WO-2008110280-A2 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-18 WO claimed
EP-2136628-A2 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-30 EP disclosed
WO-2008110280-A2 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-18 WO disclosed