SCHEMBL8319623

SCHEMBL8319623

O=C(O)c1ccc(CCCc2ccc(Br)cc2OCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.73
PTGER4 P35408 1/20 0.73
PTGER3 P43115 1/20 0.73
PTGER2 P43116 1/20 0.73
RXRA P19793 8/20 0.51
RXRB P28702 7/20 0.51
RXRG P48443 5/20 0.49
HPGD P15428 1/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
FOLH1 Q04609 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL8409384 0.93 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8320717 0.88 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8319420 0.85 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8675899 0.84 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8322261 0.84 PTGER1 (0.70) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8408122 0.83 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8326500 0.83 PTGER1 (0.69) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8321768 0.82 PTGER1 (0.95) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8324836 0.81 PTGER1 (0.92) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8459732 0.81 PTGER1 (0.66) PTGER1PTGER4PTGER3PTGER2RXRA

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