SCHEMBL11554606

SCHEMBL11554606

CC(C)CCOC(=O)/C=C/C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
SLC6A9 P48067 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FPR2 P25090 1/20 0.35
SCN9A Q15858 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL11547195 0.89 SCN9A (0.37) MMP2MMP9PPARGPPARACYP1A1
SCHEMBL11547770 0.89 ATM (0.42) PPARGPPARACYP1A1CYP1B1FPR2
SCHEMBL11281044 0.89 ALOX5 (0.37) LMNATDP1PPARGPPARANOS3
SCHEMBL11550410 0.89 PPARG (0.37) MMP2MMP9PPARGPPARASLC6A9
SCHEMBL11556763 0.88 PPARG (0.38) MMP2MMP9PPARGPPARASLC6A9
SCHEMBL732547 0.87 ALDH1A1 (0.42) LMNAPPARGPPARANOS3NOS1
SCHEMBL732546 0.87 ALDH1A1 (0.42) LMNAPPARGPPARANOS3NOS1
SCHEMBL11287443 0.87 SLC6A4 (0.41) LMNAMMP2MMP9SLC6A9MEN1
SCHEMBL11547478 0.87 PPARA (0.37) PPARGPPARACYP1A1CYP1B1MEN1
SCHEMBL11283883 0.87 MMP14 (0.44) TDP1PPARGPPARANOS3NOS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4163661-A Phenoxyphenoxy crotonic acid derivatives and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1979-08-07 US disclosed