SCHEMBL3971882

SCHEMBL3971882

Cc1c(CC(=O)O)c2ccc(C#N)cn2c1Cc1ccsc1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.46
PTGDR Q13258 8/20 0.40
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
CYP2C9 P11712 1/20 0.34
TBXA2R P21731 3/20 0.33
SLC6A3 Q01959 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
SCHEMBL3968018 0.90 PTGDR2 (0.39) PTGDR2PTGDR
SCHEMBL3968452 0.87 PTGDR2 (0.46) PTGDR2PTGDRMMP1MMP2MMP3
SCHEMBL3964681 0.86 PTGDR2 (0.46) PTGDR2PTGDRMMP1MMP2MMP3
SCHEMBL3968057 0.85 PTGDR2 (0.59) PTGDR2MMP1MMP2MMP3MMP9
SCHEMBL3967747 0.84 PTGDR2 (0.46) PTGDR2PTGDRMMP1MMP2MMP3
SCHEMBL3967120 0.83 PTGDR2 (0.52) PTGDR2PTGDRMMP1MMP2MMP3
SCHEMBL3967113 0.81 PTGDR2 (0.45) PTGDR2PTGDRMMP1MMP2MMP3
SCHEMBL3968079 0.81 PTGDR2 (0.49) PTGDR2PTGDRMMP1MMP2MMP3
SCHEMBL3967115 0.80 PTGDR2 (0.48) PTGDR2PTGDR
SCHEMBL3973023 0.79 PTGDR2 (0.66) 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