SCHEMBL3972665

SCHEMBL3972665

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.38
PPME1 Q9Y570 1/20 0.34
RAPGEF4 Q8WZA2 2/20 0.34
EEF2K O00418 1/20 0.34
PTGDR Q13258 2/20 0.33
HTR6 P50406 2/20 0.32
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 2/20 0.31
MMP7 P09237 2/20 0.31
MMP9 P14780 2/20 0.31
MMP13 P45452 2/20 0.31

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) PTGDR2PPME1RAPGEF4EEF2KPTGDR
SCHEMBL3970095 0.92 RAPGEF4 (0.43) PTGDR2PPME1RAPGEF4PTGDRHTR6
SCHEMBL3971663 0.92 PTGDR2 (0.45) PTGDR2PPME1RAPGEF4EEF2KPTGDR
SCHEMBL3967602 0.91 RAPGEF4 (0.34) PTGDR2PPME1RAPGEF4HTR6
SCHEMBL3974788 0.90 PTGDR2 (0.46) PTGDR2PPME1RAPGEF4PTGDR
SCHEMBL3966242 0.89 PTGDR2 (0.38) PTGDR2PPME1RAPGEF4EEF2KPTGDR
SCHEMBL3969343 0.88 PTGDR2 (0.39) PTGDR2PPME1RAPGEF4PTGDRHTR6
SCHEMBL3964356 0.86 PTGDR2 (0.39) PTGDR2PPME1RAPGEF4PTGDRHTR6
SCHEMBL3971500 0.84 PTGDR2 (0.39) PTGDR2RAPGEF4PTGDRHTR6
SCHEMBL3968885 0.83 PPME1 (0.37) PTGDR2PPME1RAPGEF4HTR6MMP3

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