SCHEMBL8324213

SCHEMBL8324213

O=C(O)c1ccc(CCCc2ccccc2OCCc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.80
PTGER4 P35408 1/20 0.80
PTGER3 P43115 1/20 0.80
PTGER2 P43116 1/20 0.80
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
PLA2G4B P0C869 1/20 0.50
KDM4E B2RXH2 1/20 0.48
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PPARG P37231 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
RXRA P19793 3/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 1/20 0.46
HPGD P15428 1/20 0.46
PLA2G2A P14555 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
SCHEMBL8408169 0.92 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2PDE4A
SCHEMBL8319420 0.89 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8321768 0.86 PTGER1 (0.95) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8324836 0.85 PTGER1 (0.92) PTGER1PTGER4PTGER3PTGER2PLA2G4B
SCHEMBL8675522 0.84 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2PTGES
SCHEMBL6260223 0.81 PTGER4 (0.67) PTGER1PTGER4PTGER3PTGER2PLA2G4B
SCHEMBL8327698 0.80 PTGER1 (0.78) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL9056821 0.80 PTGER1 (0.78) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8319795 0.80 PTGER1 (0.78) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL15726355 0.80 PTGER1 (0.84) 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 2 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
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed