SCHEMBL3970978

SCHEMBL3970978

CCOC(=O)Cc1c(C)c(Cc2cccn2S(=O)(=O)c2ccccc2)n2cc(F)ccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.49
PTGDR Q13258 3/20 0.39
RAPGEF4 Q8WZA2 3/20 0.36
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 2/20 0.34
HTR6 P50406 2/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 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
SCHEMBL3966252 0.90 PTGDR2 (0.55) PTGDR2PTGDRRAPGEF4CYP2C9
SCHEMBL3973994 0.87 PTGDR2 (0.40) PTGDR2RAPGEF4MEN1KMT2ACYP2C19
SCHEMBL3967733 0.87 PTGDR2 (0.40) PTGDR2RAPGEF4NOD2NOD1MEN1
SCHEMBL3968885 0.83 PPME1 (0.37) PTGDR2RAPGEF4HTR6ALDH1A1
SCHEMBL3967149 0.80 RAPGEF4 (0.42) PTGDR2PTGDRRAPGEF4NOD2NOD1
SCHEMBL3967117 0.80 POLB (0.36) PTGDR2RAPGEF4HTR6CYP2C9
SCHEMBL3967602 0.79 RAPGEF4 (0.34) PTGDR2RAPGEF4HTR6
SCHEMBL3967784 0.79 RAPGEF4 (0.35) PTGDR2RAPGEF4MEN1KMT2AHTR6
SCHEMBL3968063 0.78 HTR6 (0.34) PTGDR2RAPGEF4HTR6ALDH1A1
SCHEMBL3974788 0.78 PTGDR2 (0.46) PTGDR2PTGDRRAPGEF4

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