SCHEMBL7842424

SCHEMBL7842424

CCC(Oc1ccc(CCNC(=O)c2cccc(CC3CCCC=C3c3nc(-c4ccccc4)c(-c4ccccc4)o3)c2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.64
PTGIR P43119 5/20 0.62
PTGER1 P34995 1/20 0.62
PTGER3 P43115 1/20 0.55
SLC5A7 Q9GZV3 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP1 P09874 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
LMNA P02545 2/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL7475010 0.87 PTGER4 (0.68) PTGER4PTGIRPTGER1PTGER3MEN1
SCHEMBL7844739 0.87 PTGER4 (0.69) PTGER4PTGIRPTGER1PTGER3MEN1
SCHEMBL7475495 0.87 PTGER4 (0.78) PTGER4PTGIRPTGER1PTGER3PARP1
SCHEMBL7477735 0.87 PTGER4 (0.73) PTGER4PTGIRPTGER1PTGER3PARP1
SCHEMBL7840686 0.85 PTGIR (0.74) PTGER4PTGIRPTGER1PTGER3PARP1
SCHEMBL7845589 0.83 PTGIR (0.75) PTGER4PTGIRPTGER1PTGER3LMNA
SCHEMBL7476540 0.82 PTGER4 (0.73) PTGER4PTGIRPTGER1PTGER3MEN1
SCHEMBL7486175 0.81 PTGER4 (0.70) PTGER4PTGIRPTGER1PTGER3MEN1
SCHEMBL7486168 0.81 PTGER4 (0.70) PTGER4PTGIRPTGER1PTGER3MEN1
Hydrochloric Acid SCHEMBL7481069 0.81 PTGER4 (0.69) 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