SCHEMBL3968600

SCHEMBL3968600

Cc1c(Cc2cccn2S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2cc(C#N)ccn2c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.41
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
PTGDR Q13258 1/20 0.33
TRPV4 Q9HBA0 3/20 0.32
DDR1 Q08345 1/20 0.32
PPME1 Q9Y570 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL3968540 0.91 PTGDR2 (0.47) PTGDR2RAPGEF4PTGDRPPME1HTR6
SCHEMBL3967967 0.91 PTGDR2 (0.36) PTGDR2RAPGEF4TRPV4DDR1PPME1
SCHEMBL13881877 0.88 PTGDR2 (0.42) PTGDR2RAPGEF4PTGDRDDR1PPARG
SCHEMBL3969343 0.82 PTGDR2 (0.39) PTGDR2RAPGEF4PTGDRPPME1HTR6
SCHEMBL3963643 0.82 PTGDR2 (0.42) PTGDR2RAPGEF4PPME1HTR6
SCHEMBL4636233 0.75 PTGDR2 (0.41) PTGDR2
SCHEMBL3967117 0.75 POLB (0.36) PTGDR2RAPGEF4DDR1PPME1HTR6
SCHEMBL3968730 0.74 PTGDR2 (0.42) PTGDR2RAPGEF4PTGDRPPME1HTR6
SCHEMBL3327642 0.73 ALDH1A1 (0.45) PTGDR2PPARG
SCHEMBL3974788 0.73 PTGDR2 (0.46) PTGDR2RAPGEF4PTGDRPPME1

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-2009044134-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed