SCHEMBL4430577

SCHEMBL4430577

CCN(C)C=Nc1cc(C)c(Oc2cccc(CCO)c2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ACHE P22303 9/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AOC3 Q16853 1/20 0.31
P2RX3 P56373 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
SCHEMBL2987662 0.94 CYP4F2 (0.37) CYP4F2CYP4A11FFAR1FFAR4ACHE
SCHEMBL2987664 0.94 CYP4F2 (0.37) CYP4F2CYP4A11FFAR1FFAR4ACHE
SCHEMBL4430696 0.93 ACHE (0.35) CYP4F2CYP4A11FFAR1FFAR4ACHE
SCHEMBL2988678 0.91 NR1H2 (0.36) FFAR1FFAR4ACHETSHRHSD17B10
SCHEMBL2988680 0.91 NR1H2 (0.36) FFAR1FFAR4ACHETSHRHSD17B10
SCHEMBL4430901 0.88 ACACB (0.34) FFAR1FFAR4ACHEAOC3
SCHEMBL4436668 0.88 CYP4F2 (0.33) CYP4F2CYP4A11ACHETSHRHSD17B10
SCHEMBL4438741 0.88 FFAR1 (0.31) FFAR1FFAR4ACHEAOC3
SCHEMBL4428246 0.88 FFAR1 (0.31) FFAR1FFAR4ACHEAOC3
SCHEMBL2985567 0.85

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