SCHEMBL3974826

SCHEMBL3974826

Cc1c(CC(=O)O)c2ccc(C#N)cn2c1Cc1ccc(Oc2ncccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.42
EGLN1 Q9GZT9 1/20 0.34
SRD5A2 P31213 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
P2RX3 P56373 1/20 0.33
MAOB P27338 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
ACACB O00763 1/20 0.33
PLAAT3 P53816 1/20 0.32
PLAAT5 Q96KN8 1/20 0.32
PLAAT2 Q9NWW9 1/20 0.32
PLAAT4 Q9UL19 1/20 0.32
PGR P06401 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
SCHEMBL3969315 0.90 P2RX3 (0.36) PTGDR2P2RX3PGR
SCHEMBL3568659 0.79 PTGDR2 (0.43) PTGDR2
SCHEMBL3968952 0.78 PTGDR2 (0.43) PTGDR2
SCHEMBL3964681 0.76 PTGDR2 (0.46) PTGDR2
SCHEMBL3967116 0.76 PTGDR2 (0.42) PTGDR2
SCHEMBL4076597 0.74 PDE4A (0.39) ITGB1ITGA4P2RX3MAOBACACB
SCHEMBL13881861 0.74 KAT8 (0.36) PTGDR2
SCHEMBL4085297 0.73 PDE4A (0.37) ITGB1ITGA4P2RX3ACACB
SCHEMBL3967120 0.72 PTGDR2 (0.52) PTGDR2
SCHEMBL3974573 0.71 PTGDR2 (0.41) 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 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