SCHEMBL3799446

SCHEMBL3799446

COc1ccc(Oc2ccc(-c3cnc(-c4c(F)cccc4Cl)[nH]3)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.52
SCN2A Q99250 1/20 0.46
ORAI1 Q96D31 2/20 0.44
JAK2 O60674 1/20 0.44
DGAT1 O75907 3/20 0.41
LTA4H P09960 1/20 0.37
NPY5R Q15761 1/20 0.37
MAPK10 P53779 2/20 0.36
HPGDS O60760 2/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL3795476 0.90 PTGES (0.60) PTGESSCN2AORAI1JAK2LTA4H
SCHEMBL3795312 0.82 PTGES (0.49) PTGESSCN2AORAI1JAK2DGAT1
SCHEMBL13076592 0.82 ORAI1 (0.41) PTGESORAI1DGAT1MAPK10
SCHEMBL3797348 0.79 PTGES (0.52) PTGESSCN2AORAI1JAK2NPY5R
SCHEMBL3794463 0.77 PTGES (0.67) PTGESSCN2AORAI1JAK2HPGDS
SCHEMBL3792008 0.73 PTGES (0.62) PTGESSCN2AJAK2HPGDS
SCHEMBL3790964 0.72 PTGES (0.43) PTGESORAI1JAK2DGAT1LTA4H
SCHEMBL3800830 0.71 PTGES (0.54) PTGESSCN2AJAK2DGAT1NPY5R
SCHEMBL18255789 0.71 SYK (0.48) PTGES
SCHEMBL3797105 0.70 PTGES (0.55) PTGESSCN2AORAI1JAK2HPGDS

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-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO claimed
WO-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO disclosed