SCHEMBL3965620

SCHEMBL3965620

CCOC(=O)Cc1c(C)c(Cc2ccccc2S(=O)(=O)c2ccccc2)n2cc(C#N)ccc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.54
MMP2 P08253 3/20 0.37
MMP8 P22894 3/20 0.37
MMP12 P39900 3/20 0.37
MMP13 P45452 3/20 0.37
MMP14 P50281 3/20 0.37
MMP16 P51512 3/20 0.37
HTR6 P50406 1/20 0.36
MMP9 P14780 2/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL3969463 0.93 PTGDR2 (0.47) PTGDR2MMP2MMP8MMP12MMP13
SCHEMBL3973023 0.90 PTGDR2 (0.66) PTGDR2MMP2MMP8MMP12MMP13
SCHEMBL3968672 0.86 PTGDR2 (0.40) PTGDR2
SCHEMBL3962099 0.86 PTGDR2 (0.40) PTGDR2HTR6
SCHEMBL3968057 0.84 PTGDR2 (0.59) PTGDR2MMP2MMP8MMP12MMP13
SCHEMBL3962084 0.82 PTGDR2 (0.39) PTGDR2HTR6
SCHEMBL3973994 0.81 PTGDR2 (0.40) PTGDR2HTR6
SCHEMBL3968970 0.81 PTGDR2 (0.46) PTGDR2
SCHEMBL3962109 0.80 PTGDR2 (0.39) PTGDR2
SCHEMBL3968252 0.79 PTGDR2 (0.38) PTGDR2

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