SCHEMBL3967747

SCHEMBL3967747

Cc1c(CC(=O)O)c2ccc(C#N)cn2c1Cc1cccc(F)c1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.46
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
PTGDR Q13258 4/20 0.36
EEF2K O00418 1/20 0.34
TBXA2R P21731 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
SCHEMBL3962084 0.90 PTGDR2 (0.39) PTGDR2
SCHEMBL3968057 0.88 PTGDR2 (0.59) PTGDR2MMP1MMP2MMP3MMP9
SCHEMBL3967120 0.87 PTGDR2 (0.52) PTGDR2MMP1MMP2MMP3MMP9
SCHEMBL3964681 0.85 PTGDR2 (0.46) PTGDR2MMP1MMP2MMP3MMP9
SCHEMBL3967113 0.84 PTGDR2 (0.45) PTGDR2MMP1MMP2MMP3MMP9
SCHEMBL3971882 0.84 PTGDR2 (0.46) PTGDR2MMP1MMP2MMP3MMP9
SCHEMBL3967115 0.83 PTGDR2 (0.48) PTGDR2PTGDREEF2K
SCHEMBL3968079 0.82 PTGDR2 (0.49) PTGDR2MMP1MMP2MMP3MMP9
SCHEMBL3973023 0.82 PTGDR2 (0.66) PTGDR2MMP1MMP2MMP3MMP9
SCHEMBL3968452 0.80 PTGDR2 (0.46) PTGDR2MMP1MMP2MMP3MMP9

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