SCHEMBL9727458

SCHEMBL9727458

O=C(O)c1ccc(OCCCc2cc3c(cc2OCc2ccccc2)CC(CCc2ccccc2)O3)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
SRD5A2 P31213 1/20 0.42
PLA2G4B P0C869 2/20 0.42
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PKM P14618 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL5502488 0.92 MAOA (0.40)
SCHEMBL9727691 0.91 MTNR1B (0.42)
SCHEMBL9727339 0.87 MAOB (0.43)
SCHEMBL5518490 0.86 F2 (0.41)
SCHEMBL9727765 0.86 MTNR1B (0.39)
SCHEMBL9727767 0.86 HIF1A (0.36)
SCHEMBL9727664 0.86 MAPK1 (0.38)
SCHEMBL14435033 0.85 HTR6 (0.43) PTGER1PTGER4PTGER3PTGER2
SCHEMBL9727567 0.83 CYP3A4 (0.37) PTGER1PTGER4PTGER3PTGER2
SCHEMBL9727743 0.80 HTR6 (0.40) PTGER1PTGER4PTGER3PTGER2

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
US-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed
EP-0447189-A1 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1991-09-18 EP disclosed