SCHEMBL534061

SCHEMBL534061

Cc1c(Cc2ccc(C#N)cc2)c(OC(F)F)nc2c(F)ccc(O)c12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.33
CYP19A1 P11511 4/20 0.32
MBOAT4 Q96T53 2/20 0.32
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LOXL2 Q9Y4K0 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
SCHEMBL533987 0.89 AR (0.36) ARCYP19A1MBOAT4SLC5A1SLC5A2
SCHEMBL534060 0.88 AR (0.36) ARPTGDR2MBOAT4GAASMN1; SMN2
SCHEMBL533928 0.85 AR (0.40) ARCYP19A1LOXL2
SCHEMBL534048 0.83 PTGDR2 (0.49) ARPTGDR2
SCHEMBL2579398 0.82 PTGDR2 (0.34) PTGDR2
SCHEMBL534798 0.81 PTGDR2 (0.41) ARPTGDR2
SCHEMBL534921 0.81 PTGDR2 (0.49) ARPTGDR2CYP19A1
SCHEMBL2572975 0.80 PTGDR2 (0.38) PTGDR2MBOAT4
SCHEMBL2577516 0.76 PTGDR2 (0.37) PTGDR2SMN1; SMN2
SCHEMBL533986 0.76 AR (0.36) ARMBOAT4

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-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP claimed