SCHEMBL8325869

SCHEMBL8325869

N#Cc1ccc(CC=Cc2ccc(C(=O)O)cc2)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.48
PTGER1 P34995 2/20 0.46
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
PTGER4 P35408 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTDSP1 Q9GZU7 2/20 0.43
KDM4E B2RXH2 1/20 0.43
XDH P47989 1/20 0.43
SRD5A2 P31213 1/20 0.43
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL8325865 1.00 MRGPRX4 (0.48) MRGPRX4PTGER1NR4A1NR4A2NR4A3
SCHEMBL8322906 0.84 PTGER4 (0.47) PTGER1NR4A1NR4A2NR4A3PTGER4
SCHEMBL8327463 0.84 PTGER1 (0.54) MRGPRX4PTGER1NR4A1NR4A2NR4A3
SCHEMBL8327466 0.84 PTGER1 (0.54) MRGPRX4PTGER1NR4A1NR4A2NR4A3
SCHEMBL8322908 0.84 PTGER4 (0.47) PTGER1NR4A1NR4A2NR4A3PTGER4
SCHEMBL8679046 0.83 PTGER4 (0.48) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL8324660 0.82 MRGPRX4 (0.49) MRGPRX4PTGER1NR4A1NR4A2NR4A3
SCHEMBL8324662 0.82 MRGPRX4 (0.49) MRGPRX4PTGER1NR4A1NR4A2NR4A3
SCHEMBL8679048 0.80 MRGPRX4 (0.47) MRGPRX4PTGER1NR4A2XDH
SCHEMBL8326500 0.80 PTGER1 (0.69) MRGPRX4PTGER1NR4A1NR4A2NR4A3

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 3 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 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