SCHEMBL4428246

SCHEMBL4428246

C=CCCc1cccc(Oc2cc(C)c(N=CN(C)CC)cc2C)c1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
RGS12 O14924 1/20 0.30
USP2 O75604 1/20 0.30
TNNI3 P19429 1/20 0.30
TNNT2 P45379 1/20 0.30
TNNC1 P63316 1/20 0.30
KMT2A Q03164 1/20 0.30
MCOLN3 Q8TDD5 1/20 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
SCHEMBL4430577 0.88 CYP4F2 (0.36) FFAR1FFAR4ACHEAOC3
SCHEMBL4430901 0.87 ACACB (0.34) FFAR1FFAR4ACHEAOC3
SCHEMBL4438741 0.86 FFAR1 (0.31) FFAR1FFAR4ACHEAOC3
SCHEMBL2987664 0.86 CYP4F2 (0.37) FFAR1FFAR4ACHE
SCHEMBL2987662 0.86 CYP4F2 (0.37) FFAR1FFAR4ACHE
SCHEMBL2988680 0.85 NR1H2 (0.36) FFAR1FFAR4ACHE
SCHEMBL2988678 0.85 NR1H2 (0.36) FFAR1FFAR4ACHE
SCHEMBL4430696 0.85 ACHE (0.35) FFAR1FFAR4ACHE
SCHEMBL12710247 0.83
SCHEMBL2988752 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