SCHEMBL7844739

SCHEMBL7844739

COC(=O)c1ccc(CCNC(=O)c2cccc(CC3CCCC=C3c3nc(-c4ccccc4)c(-c4ccccc4)o3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.69
PTGIR P43119 4/20 0.69
PTGER1 P34995 1/20 0.69
PTGER3 P43115 1/20 0.58
KDM5B Q9UGL1 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL7475495 0.93 PTGER4 (0.78) PTGER4PTGIRPTGER1PTGER3KDM5B
SCHEMBL7477735 0.91 PTGER4 (0.73) PTGER4PTGIRPTGER1PTGER3PARP1
SCHEMBL7475010 0.89 PTGER4 (0.68) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7842424 0.87 PTGER4 (0.64) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7960001 0.87 PTGIR (0.78) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7949540 0.87 PTGER4 (0.69) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7840686 0.87 PTGIR (0.74) PTGER4PTGIRPTGER1PTGER3PARP1
SCHEMBL7476540 0.86 PTGER4 (0.73) PTGER4PTGIRPTGER1PTGER3KDM5B
SCHEMBL7486175 0.85 PTGER4 (0.70) PTGER4PTGIRPTGER1PTGER3MEN1
SCHEMBL7486168 0.85 PTGER4 (0.70) PTGER4PTGIRPTGER1PTGER3MEN1

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-1115712-A1 OXAZOLE COMPOUNDS AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-18 EP disclosed
WO-2000018744-A1 OXAZOLE COMPOUNDS AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-06 WO disclosed