SCHEMBL8322908

SCHEMBL8322908

O=C(O)c1ccc(C=CCc2ccc(Br)cc2OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.47
PTGER3 P43115 4/20 0.47
PTGER2 P43116 4/20 0.47
PTGER1 P34995 9/20 0.45
RXRA P19793 5/20 0.45
RXRB P28702 4/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
RXRG P48443 2/20 0.43
HPGD P15428 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
SCHEMBL8322906 1.00 PTGER4 (0.47) PTGER4PTGER3PTGER2PTGER1RXRA
SCHEMBL8327463 0.87 PTGER1 (0.54) PTGER4PTGER3PTGER2PTGER1RXRA
SCHEMBL8327466 0.87 PTGER1 (0.54) PTGER4PTGER3PTGER2PTGER1RXRA
SCHEMBL8325865 0.84 MRGPRX4 (0.48) PTGER4PTGER3PTGER2PTGER1NR4A1
SCHEMBL8325869 0.84 MRGPRX4 (0.48) PTGER4PTGER3PTGER2PTGER1NR4A1
SCHEMBL8676663 0.82 PTGER1 (0.50) PTGER4PTGER3PTGER2PTGER1KDM4E
SCHEMBL8327584 0.81 RXRA (0.49) PTGER4PTGER3PTGER2PTGER1RXRA
SCHEMBL8327587 0.81 RXRA (0.49) PTGER4PTGER3PTGER2PTGER1RXRA
SCHEMBL8409384 0.80 PTGER1 (0.62) PTGER4PTGER3PTGER2PTGER1RXRA
SCHEMBL8324739 0.80 PTGER1 (0.56) PTGER4PTGER3PTGER2PTGER1RXRA

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