SCHEMBL8327256

SCHEMBL8327256

O=C(O)c1ccc(CCCc2cc(C(=O)OCc3ccccc3)ccc2OCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.72
PTGER4 P35408 2/20 0.72
PTGER3 P43115 2/20 0.72
PTGER2 P43116 2/20 0.72
MTNR1B P49286 2/20 0.48
RXRA P19793 6/20 0.48
RXRB P28702 5/20 0.48
RXRG P48443 4/20 0.48
HPGD P15428 2/20 0.48
MTNR1A P48039 2/20 0.47
LMNA P02545 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
NPC1 O15118 2/20 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
SCHEMBL8675082 0.87 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8318002 0.87 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8321346 0.87 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8321828 0.85 PTGER1 (0.70) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8797758 0.85 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8323835 0.85 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL9058140 0.85 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8322711 0.85 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8675086 0.85 TDP1 (0.55) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8324900 0.85 PTGER1 (0.73) 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