SCHEMBL4430696

SCHEMBL4430696

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
PPARA Q07869 6/20 0.33
PPARG P37231 4/20 0.33
BCHE P06276 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FDFT1 P37268 1/20 0.32

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 0.97 CYP4F2 (0.37) ACHECYP4F2CYP4A11PPARAPPARG
SCHEMBL2987664 0.97 CYP4F2 (0.37) ACHECYP4F2CYP4A11PPARAPPARG
SCHEMBL4430577 0.93 CYP4F2 (0.36) ACHECYP4F2CYP4A11FFAR1FFAR4
SCHEMBL2988680 0.89 NR1H2 (0.36) ACHEFFAR1FFAR4TSHRHSD17B10
SCHEMBL2988678 0.89 NR1H2 (0.36) ACHEFFAR1FFAR4TSHRHSD17B10
SCHEMBL4430901 0.86 ACACB (0.34) ACHEBCHEFFAR1FFAR4
SCHEMBL4438741 0.85 FFAR1 (0.31) ACHEFFAR1FFAR4
SCHEMBL4428246 0.85 FFAR1 (0.31) ACHEFFAR1FFAR4
SCHEMBL2981085 0.84 FFAR1 (0.35) ACHECYP4F2CYP4A11FFAR1FFAR4
SCHEMBL2981088 0.84 FFAR1 (0.35) ACHECYP4F2CYP4A11FFAR1FFAR4

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-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