SCHEMBL3969463

SCHEMBL3969463

CCOC(=O)Cc1c(C)c(Cc2ccccc2S(=O)(=O)c2ccc(F)cc2)n2cc(C#N)ccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.47
MMP2 P08253 2/20 0.41
MMP12 P39900 2/20 0.41
MMP13 P45452 2/20 0.41
MMP14 P50281 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.35
MMP8 P22894 1/20 0.35
MMP16 P51512 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL3965620 0.93 PTGDR2 (0.54) PTGDR2MMP2MMP12MMP13MMP14
SCHEMBL3968057 0.90 PTGDR2 (0.59) PTGDR2MMP2MMP12MMP13MMP14
SCHEMBL3962084 0.89 PTGDR2 (0.39) PTGDR2MEN1KMT2APTGS2
SCHEMBL3968970 0.88 PTGDR2 (0.46) PTGDR2MAPTMEN1KMT2APTGS2
SCHEMBL3962109 0.88 PTGDR2 (0.39) PTGDR2MAPTMEN1KMT2APTGS2
SCHEMBL3968018 0.86 PTGDR2 (0.39) PTGDR2MAPTMEN1KMT2APTGS2
SCHEMBL3972653 0.86 PTGDR2 (0.42) PTGDR2MAPTMEN1KMT2APTGS2
SCHEMBL3967751 0.86 PTGDR2 (0.39) PTGDR2MAPTMEN1KMT2APTGS2
SCHEMBL3962099 0.85 PTGDR2 (0.40) PTGDR2MAPTPTGS2
SCHEMBL3968252 0.85 PTGDR2 (0.38) PTGDR2MAPTMEN1KMT2APTGS2

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