SCHEMBL15536508

SCHEMBL15536508

NC(C(=O)O)C(=O)c1c(O)c(-c2ccc(F)cc2)nn(Cc2ccccc2C(F)(F)F)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.40
NR1H3 Q13133 6/20 0.40
NR1I2 O75469 2/20 0.40
NR3C1 P04150 2/20 0.40
RORC P51449 1/20 0.40
ESR1 P03372 2/20 0.37
TACR1 P25103 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
GNRHR P30968 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.35
AR P10275 1/20 0.35
RXRA P19793 1/20 0.35
P2RY14 Q15391 1/20 0.35
CHRM5 P08912 1/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL15535994 0.82 GNRHR (0.38) NR1H2NR1H3RORCGNRHRP2RY14
SCHEMBL3848575 0.82 EGLN3 (0.54) RORCESR1MAPK13MAPK12MAPK11
SCHEMBL3854878 0.81 ALDH1A1 (0.46) NR1H2NR1H3NR1I2NR3C1RORC
SCHEMBL3853220 0.74 EGLN3 (0.49) RORCMAPK13MAPK12MAPK11MAPK14
SCHEMBL3263973 0.74 GNRHR (0.37) RORCGNRHREPHX2KDM4EALDH1A1
SCHEMBL3847891 0.73 ALDH1A1 (0.41) RORCP2RY14KDM4EALDH1A1
SCHEMBL3847819 0.69 ALDH1A1 (0.38) RORCP2RY14KDM4EALDH1A1
SCHEMBL15537015 0.69 GAA (0.43) MAPTKDM4EALDH1A1HPGD
SCHEMBL3854160 0.68 EGLN3 (0.45) RORCMAPK13MAPK12MAPK11MAPK14
SCHEMBL3849543 0.67 ALDH1A1 (0.47) NR1H2NR1H3MAPTKDM4EALDH1A1

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
WO-2013177478-A2 TREATMENT METHOD GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-11-28 WO disclosed