SCHEMBL3968952

SCHEMBL3968952

Cc1c(CC(=O)O)c2ccc(C#N)cn2c1Cc1ccccc1Oc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.43
SLC6A4 P31645 2/20 0.39
TBXA2R P21731 3/20 0.35
SCN9A Q15858 2/20 0.35
AKR1C3 P42330 2/20 0.35
CXCL8 P10145 1/20 0.35
AKR1C2 P52895 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGDR Q13258 2/20 0.34
HTR2A P28223 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
SCHEMBL3969206 0.91 SLC6A4 (0.37) PTGDR2SLC6A4TBXA2RSCN9AKDM4E
SCHEMBL3968057 0.82 PTGDR2 (0.59) PTGDR2
SCHEMBL3967747 0.79 PTGDR2 (0.46) PTGDR2TBXA2RPTGDR
SCHEMBL3967120 0.78 PTGDR2 (0.52) PTGDR2PTGDR
SCHEMBL3974826 0.78 PTGDR2 (0.42) PTGDR2
SCHEMBL3973023 0.77 PTGDR2 (0.66) PTGDR2
SCHEMBL3964681 0.77 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL3971882 0.77 PTGDR2 (0.46) PTGDR2TBXA2RCYP2C9PTGDR
SCHEMBL3967115 0.76 PTGDR2 (0.48) PTGDR2PTGDR
SCHEMBL3967113 0.75 PTGDR2 (0.45) PTGDR2PTGDR

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