SCHEMBL6180993

SCHEMBL6180993

CC(=O)CCC(=O)c1ccc(Br)cc1OCc1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 15/20 0.52
MAOB P27338 1/20 0.50
MTNR1B P49286 1/20 0.47
CCR5 P51681 1/20 0.46
AKR1A1 P14550 1/20 0.44
AKR1B1 P15121 1/20 0.44
MAPK14 Q16539 1/20 0.43

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
SCHEMBL5628945 0.91 PTGER1 (0.52) PTGER1MAOBMTNR1BCCR5
SCHEMBL6191223 0.87 AKR1B1 (0.53) PTGER1MAOBMTNR1BAKR1A1AKR1B1
SCHEMBL5627116 0.86 MAOB (0.51) PTGER1MAOBMAPK14
SCHEMBL6188332 0.85 MAOB (0.53) PTGER1MAOBCCR5
SCHEMBL5628010 0.84 MAOB (0.52) PTGER1MAOBMAPK14
SCHEMBL5627661 0.80 PTGER1 (0.50) PTGER1MTNR1BAKR1B1
SCHEMBL5627697 0.80 PTGER1 (0.52) PTGER1MAOB
SCHEMBL6169233 0.80 MAOB (0.47) PTGER1MAOBMAPK14
SCHEMBL5468595 0.78 MAOB (0.46) PTGER1MAOB
SCHEMBL6191453 0.77 MAOB (0.51) PTGER1MAOB

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
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 WO disclosed