SCHEMBL3795476

SCHEMBL3795476

Fc1cccc(Cl)c1-c1ncc(-c2ccc(Oc3ccccc3)nc2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.60
LTA4H P09960 2/20 0.47
JAK2 O60674 2/20 0.46
HPGDS O60760 5/20 0.45
GPR84 Q9NQS5 1/20 0.45
SCN2A Q99250 3/20 0.40
ORAI1 Q96D31 2/20 0.40

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
SCHEMBL3799446 0.90 PTGES (0.52) PTGESLTA4HJAK2HPGDSGPR84
SCHEMBL3790964 0.81 PTGES (0.43) PTGESLTA4HJAK2GPR84ORAI1
SCHEMBL3794463 0.80 PTGES (0.67) PTGESJAK2HPGDSSCN2AORAI1
SCHEMBL3792008 0.77 PTGES (0.62) PTGESJAK2HPGDSSCN2A
SCHEMBL3791357 0.77 PTGES (0.56) PTGESJAK2HPGDSSCN2A
SCHEMBL3797348 0.75 PTGES (0.52) PTGESJAK2HPGDSSCN2AORAI1
SCHEMBL3800707 0.75 PTGES (0.60) PTGESJAK2
SCHEMBL3793877 0.74 PTGES (0.55) PTGESJAK2HPGDSSCN2A
SCHEMBL3801705 0.74 PTGES (0.58) PTGESJAK2
SCHEMBL3800830 0.73 PTGES (0.54) PTGESJAK2HPGDSSCN2A

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