SCHEMBL8322366

SCHEMBL8322366

O=C(O)c1ccc(CCCc2ccccc2OCc2ccccc2)c(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.71
PTGER4 P35408 3/20 0.71
PTGER3 P43115 3/20 0.71
PTGER2 P43116 3/20 0.71
MRGPRX4 Q96LA9 4/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
MGLL Q99685 1/20 0.48
FOLH1 Q04609 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47
XBP1 P17861 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL8322035 0.95 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL8324858 0.85 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8318952 0.84 PTGER1 (0.76) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL8323831 0.83 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8319420 0.83 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8319025 0.82 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL8321768 0.81 PTGER1 (0.95) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8675205 0.80 PTGER1 (0.71) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL27703695 0.80 MRGPRX4 (0.57) PTGER1MRGPRX4FOLH1HPGDMEN1
SCHEMBL8319847 0.80 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2MRGPRX4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP claimed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP claimed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO claimed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed
WO-1996004246-A1 PHENYLACETAMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1996-02-15 WO disclosed