SCHEMBL1679381

SCHEMBL1679381

C=CCOc1c(C(F)(F)F)ccc(COc2ccc(-c3ccc(C(CC=C)C(=O)O)c(F)c3)cc2)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.34
NR1H3 Q13133 6/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
FFAR1 O14842 3/20 0.33
PTGER4 P35408 2/20 0.33
SRD5A2 P31213 1/20 0.33
KIF11 P52732 1/20 0.32
KAT6A Q92794 1/20 0.32
RXRA P19793 3/20 0.31
GPR34 Q9UPC5 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL1679399 0.85 NR1H2 (0.37) NR1H2NR1H3FFAR1KIF11
SCHEMBL4936165 0.85 NR1H2 (0.42) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1678906 0.81 ADAMTS4 (0.41) NR1H2NR1H3ADAMTS4MMP13FFAR1
SCHEMBL1678810 0.80 NR1H2 (0.35) NR1H2NR1H3ADAMTS4MMP13PPARG
SCHEMBL4935667 0.79 NR1H2 (0.53) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4935619 0.77 RXRA (0.46) NR1H2NR1H3PPARDFFAR1KIF11
SCHEMBL1679125 0.74 NR1H2 (0.38) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1679696 0.72 NR1H2 (0.40) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1679382 0.71 CYP2C19 (0.44) FFAR1KIF11
SCHEMBL1678615 0.69 NR1H2 (0.44) NR1H2NR1H3FFAR1FFAR4

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-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed