SCHEMBL9804459

SCHEMBL9804459

CC(Oc1ccc(-c2ncc(C(F)(F)F)cc2F)cc1O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
SLC6A9 P48067 4/20 0.36
KCNH2 Q12809 3/20 0.36
PPARG P37231 2/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS2 P35354 1/20 0.35
CTSA P10619 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
SCHEMBL9804348 1.00 ABCB11 (0.43) ABCB11PTGDR2PPARDPPARATSHR
SCHEMBL9804260 0.90 KMT2A (0.37) ABCB11PTGDR2PPARDPPARASLC6A9
SCHEMBL9820875 0.88 MAPK1 (0.44) ABCB11PTGDR2TSHRHTR2AHTR2C
SCHEMBL9804352 0.86 SLC6A9 (0.35) ABCB11PPARDPPARASLC6A9KCNH2
SCHEMBL9804289 0.86 SLC6A9 (0.35) ABCB11PPARDPPARASLC6A9KCNH2
SCHEMBL10413905 0.86 PTGS2 (0.35) PPARDPPARASLC6A9KCNH2MEN1
SCHEMBL9804324 0.84 TSHR (0.48) PTGDR2PPARDPPARATSHRHTR2A
SCHEMBL9804287 0.84 TSHR (0.48) PTGDR2PPARDPPARATSHRHTR2A
SCHEMBL10562091 0.84 PPARD (0.35) PPARDPPARASLC6A9KCNH2AGBL2
SCHEMBL10561196 0.84 PPARD (0.35) PPARDPPARASLC6A9KCNH2AGBL2

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
EP-0200677-B1 3-FLUOROPYRIDYL-2-OXY-PHENOXY DERIVATIVES WITH A HERBICIDAL ACTIVITY CIBA-GEIGY AG (CH) 1991-04-03 EP claimed