SCHEMBL8324660

SCHEMBL8324660

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.49
KMT2A Q03164 1/20 0.47
PTGER1 P34995 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER2 P43116 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
RXRA P19793 4/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 2/20 0.44
HPGD P15428 1/20 0.44
XDH P47989 1/20 0.43
SRD5A2 P31213 1/20 0.43
PTGER3 P43115 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
SCHEMBL8324662 1.00 MRGPRX4 (0.49) MRGPRX4KMT2APTGER1PTGER4PTGER2
SCHEMBL8675466 0.84 PTGER4 (0.46) MRGPRX4PTGER1PTGER4PTGER2PTGER3
SCHEMBL8328295 0.84 MRGPRX4 (0.57) MRGPRX4KMT2APTGER1PTGER4PTGER2
SCHEMBL8327587 0.84 RXRA (0.49) KMT2APTGER1PTGER4PTGER2NR4A1
SCHEMBL8327584 0.84 RXRA (0.49) KMT2APTGER1PTGER4PTGER2NR4A1
SCHEMBL8328293 0.84 MRGPRX4 (0.57) MRGPRX4KMT2APTGER1PTGER4PTGER2
SCHEMBL8325865 0.82 MRGPRX4 (0.48) MRGPRX4KMT2APTGER1PTGER4PTGER2
SCHEMBL8325869 0.82 MRGPRX4 (0.48) MRGPRX4KMT2APTGER1PTGER4PTGER2
SCHEMBL8675468 0.81 MRGPRX4 (0.47) MRGPRX4KMT2APTGER1PTGER4PTGER2
SCHEMBL6072389 0.81 PTGER4 (0.62) MRGPRX4PTGER1PTGER4PTGER2PTGER3

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