SCHEMBL8551042

SCHEMBL8551042

CC(=O)Oc1ccc(C)c(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.60
PTGER4 P35408 5/20 0.60
PTGER1 P34995 1/20 0.60
PTGER3 P43115 1/20 0.58
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
FABP4 P15090 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PPARD Q03181 2/20 0.35

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
SCHEMBL8551039 0.93 PTGIR (0.57) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7494436 0.90 PTGIR (0.65) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7489516 0.90 PTGER4 (0.56) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL8548332 0.88 PTGIR (0.66) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL9006710 0.87 PTGIR (0.75) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL8075231 0.87 PTGIR (0.75) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7964459 0.87 PTGER4 (0.73) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7964274 0.87 PTGIR (0.54) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7488841 0.86 PTGER4 (0.61) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL8551740 0.86 PTGIR (0.66) PTGIRPTGER4PTGER1PTGER3KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842161-A1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-20 EP disclosed