SCHEMBL3973023

SCHEMBL3973023

Cc1c(CC(=O)O)c2ccc(C#N)cn2c1Cc1ccccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.66
MMP2 P08253 3/20 0.42
MMP8 P22894 3/20 0.42
MMP12 P39900 3/20 0.42
MMP13 P45452 3/20 0.42
MMP14 P50281 3/20 0.42
MMP16 P51512 3/20 0.42
MMP9 P14780 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42

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
SCHEMBL3968057 0.94 PTGDR2 (0.59) PTGDR2MMP2MMP8MMP12MMP13
SCHEMBL3965620 0.90 PTGDR2 (0.54) PTGDR2MMP2MMP8MMP12MMP13
SCHEMBL3967596 0.86 PTGDR2 (0.50) PTGDR2
SCHEMBL3967115 0.85 PTGDR2 (0.48) PTGDR2
SCHEMBL3969463 0.84 PTGDR2 (0.47) PTGDR2MMP2MMP8MMP12MMP13
SCHEMBL3967747 0.82 PTGDR2 (0.46) PTGDR2MMP2MMP12MMP13MMP14
SCHEMBL3967120 0.80 PTGDR2 (0.52) PTGDR2MMP2MMP12MMP13MMP14
SCHEMBL3971663 0.80 PTGDR2 (0.45) PTGDR2
SCHEMBL3964681 0.79 PTGDR2 (0.46) PTGDR2MMP2MMP12MMP13MMP14
SCHEMBL3967113 0.79 PTGDR2 (0.45) PTGDR2MMP2MMP12MMP13MMP14

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