SCHEMBL8327587

SCHEMBL8327587

O=C(O)c1ccc(CC=Cc2ccc(Br)cc2OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.49
RXRB P28702 7/20 0.49
PTGER4 P35408 2/20 0.48
PTGER2 P43116 2/20 0.48
RXRG P48443 5/20 0.47
HPGD P15428 2/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
PTGER1 P34995 3/20 0.46
PTGER3 P43115 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PSMD14 O00487 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
CRHBP P24387 1/20 0.45
PPARG P37231 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL8327584 1.00 RXRA (0.49) RXRARXRBPTGER4PTGER2RXRG
SCHEMBL8328295 0.86 MRGPRX4 (0.57) RXRARXRBPTGER4PTGER2RXRG
SCHEMBL8328293 0.86 MRGPRX4 (0.57) RXRARXRBPTGER4PTGER2RXRG
SCHEMBL8324660 0.84 MRGPRX4 (0.49) RXRARXRBPTGER4PTGER2RXRG
SCHEMBL8324662 0.84 MRGPRX4 (0.49) RXRARXRBPTGER4PTGER2RXRG
SCHEMBL8675824 0.83 PTGER1 (0.48) PTGER4PTGER2PTGER1PTGER3KDM4E
SCHEMBL8322908 0.81 PTGER4 (0.47) RXRARXRBPTGER4PTGER2RXRG
SCHEMBL8322906 0.81 PTGER4 (0.47) RXRARXRBPTGER4PTGER2RXRG
SCHEMBL8675826 0.80 SLC6A2 (0.46) PTGER4PTGER2HPGDPTGER1PTGER3
SCHEMBL8676663 0.76 PTGER1 (0.50) PTGER4PTGER2PTGER1PTGER3KDM4E

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