SCHEMBL3935935

SCHEMBL3935935

CCCc1cc(C(F)(F)F)cnc1CCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.51
FFAR1 O14842 2/20 0.43
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
PPARD Q03181 3/20 0.40
MAPT P10636 1/20 0.40
POLQ O75417 1/20 0.39
RXRA P19793 3/20 0.38
NR1H2 P55055 3/20 0.38
KDM4E B2RXH2 1/20 0.38
FFAR2 O15552 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GLA P06280 1/20 0.37
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NR1H3 Q13133 1/20 0.36

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
SCHEMBL3929580 0.85 L3MBTL1 (0.46) AGBL2GAAALDH1A1PPARGPPARA
SCHEMBL3928210 0.83 AGBL2 (0.68) AGBL2FFAR1GAAALDH1A1MAPT
SCHEMBL3936887 0.81 AGBL2 (0.52) AGBL2FFAR1GAAALDH1A1MAPT
SCHEMBL3932258 0.80 MAPT (0.56) AGBL2GAAALDH1A1MAPTKDM4E
SCHEMBL3928786 0.78 PTGDR2 (0.48) AGBL2FFAR1POLQRXRAFFAR4
SCHEMBL4011125 0.73 ALDH1A1 (0.37) GAAALDH1A1MAPTKDM4EPTGDR2
SCHEMBL3930078 0.73 PTGDR2 (0.50) AGBL2FFAR1GAAALDH1A1MAPT
SCHEMBL3924887 0.71 AGBL2 (0.55) AGBL2GAAALDH1A1MAPTKDM4E
SCHEMBL5717719 0.71 MAPT (0.58) AGBL2FFAR1GAAALDH1A1MAPT
SCHEMBL29010077 0.71 FFAR1 (0.66) AGBL2FFAR1GAAALDH1A1RXRA

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
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed