SCHEMBL4438517

SCHEMBL4438517

Cc1cc(N(C)C=N)c(C)cc1Oc1cccc(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.39
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 4/20 0.38
F10 P00742 2/20 0.37
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
FDFT1 P37268 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 1/20 0.32
LTA4H P09960 1/20 0.32
KDR P35968 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
SCHEMBL3699327 0.84 NR1H2 (0.36) TTRNR1H2NR1H3F10FFAR1
SCHEMBL4436521 0.74 PTGS1 (0.34)
SCHEMBL1571136 0.72 HTR1B (0.35) TSHRSMN1; SMN2LTA4H
SCHEMBL2988678 0.72 NR1H2 (0.36) TTRNR1H2NR1H3F10FFAR1
SCHEMBL2988680 0.72 NR1H2 (0.36) TTRNR1H2NR1H3F10FFAR1
SCHEMBL4438516 0.72 F10 (0.40) TTRNR1H2NR1H3F10FFAR1
SCHEMBL1745696 0.71 FFAR1 (0.54) TTRNR1H2NR1H3F10FFAR1
SCHEMBL1746839 0.68 FFAR1 (0.53) TTRNR1H2NR1H3F10FFAR1
SCHEMBL1745426 0.68 FFAR1 (0.52) TTRNR1H2NR1H3F10FFAR1
SCHEMBL358425 0.67 LTA4H (0.67) TTRFFAR1FFAR4TSHRHSD17B10

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