SCHEMBL4438516

SCHEMBL4438516

CNC(=N)c1cc(C)c(Oc2cccc(CO)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.40
NR1H2 P55055 4/20 0.39
NR1H3 Q13133 4/20 0.39
TTR P02766 1/20 0.37
PPARG P37231 6/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL28838532 0.83 STK39 (0.39) TTRTSHR
SCHEMBL1571135 0.74 GPR52 (0.38) PPARGPPARDPPARA
SCHEMBL1745696 0.72 FFAR1 (0.54) F10NR1H2NR1H3TTRTSHR
SCHEMBL4438517 0.72 TTR (0.39) F10NR1H2NR1H3TTRTSHR
SCHEMBL29997791 0.71 STK39 (0.45) TSHR
SCHEMBL20551205 0.69 MAPT (0.42) TSHRSMN1; SMN2
SCHEMBL1745426 0.69 FFAR1 (0.52) F10NR1H2NR1H3TTRTSHR
SCHEMBL15096339 0.67 TTR (0.51) TTRFFAR1FFAR4
SCHEMBL15062138 0.67 PRSS1 (0.59) F10TSHRSMN1; SMN2PRSS1PRSS2
SCHEMBL30979256 0.67 ALDH1A1 (0.53) F10NR1H2NR1H3TSHRSMN1; SMN2

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