SCHEMBL3969343

SCHEMBL3969343

Cc1c(CC(=O)O)c2ccc(C#N)cn2c1Cc1cccn1S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.39
PPME1 Q9Y570 1/20 0.34
PTGDR Q13258 2/20 0.33
HTR6 P50406 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
TBXA2R P21731 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL3968730 0.93 PTGDR2 (0.42) PTGDR2PPME1PTGDRHTR6RAPGEF4
SCHEMBL3974788 0.91 PTGDR2 (0.46) PTGDR2PPME1PTGDRRAPGEF4
SCHEMBL3971663 0.91 PTGDR2 (0.45) PTGDR2PPME1PTGDRHTR6RAPGEF4
SCHEMBL3967117 0.91 POLB (0.36) PTGDR2PPME1HTR6RAPGEF4RORC
SCHEMBL3970095 0.89 RAPGEF4 (0.43) PTGDR2PPME1PTGDRHTR6RAPGEF4
SCHEMBL3966242 0.88 PTGDR2 (0.38) PTGDR2PPME1PTGDRHTR6RAPGEF4
SCHEMBL3972665 0.88 PTGDR2 (0.38) PTGDR2PPME1PTGDRHTR6RAPGEF4
SCHEMBL3964356 0.84 PTGDR2 (0.39) PTGDR2PPME1PTGDRHTR6RAPGEF4
SCHEMBL3968885 0.83 PPME1 (0.37) PTGDR2PPME1HTR6RAPGEF4
SCHEMBL3968600 0.82 PTGDR2 (0.41) PTGDR2PPME1PTGDRHTR6RAPGEF4

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-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed