SCHEMBL8319795

SCHEMBL8319795

O=C(O)c1ccc(CCCc2ccccc2OCc2cccc(Cl)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.78
PTGER4 P35408 1/20 0.78
PTGER3 P43115 1/20 0.78
PTGER2 P43116 1/20 0.78
RXRA P19793 3/20 0.60
RXRB P28702 3/20 0.60
RXRG P48443 2/20 0.60
HPGD P15428 2/20 0.53
NR4A2 P43354 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
MITF O75030 1/20 0.53
TP53 P04637 1/20 0.53
XBP1 P17861 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
KMT2A Q03164 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL8319420 0.88 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL9056821 0.86 PTGER1 (0.78) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8676742 0.86 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8324900 0.86 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8321768 0.85 PTGER1 (0.95) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8324836 0.84 PTGER1 (0.92) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8709122 0.81 HTR1A (0.58) PTGER1PTGER4PTGER3PTGER2SLC1A5
SCHEMBL8676744 0.81 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8318952 0.81 PTGER1 (0.76) PTGER1PTGER4PTGER3PTGER2HPGD
SCHEMBL8324213 0.80 PTGER1 (0.80) 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 6 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 claimed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP claimed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO claimed
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