SCHEMBL8965271

SCHEMBL8965271

O=C(O)COc1ccccc1CCCCCn1cc(C(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.59
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TBXAS1 P24557 2/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
TBXA2R P21731 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36

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
SCHEMBL8965160 0.99 PTGIR (0.60) PTGIRKMT2AL3MBTL1TBXAS1PTGDR2
SCHEMBL8966026 0.96 PTGIR (0.61) PTGIRKMT2AL3MBTL1TBXAS1PTGDR2
SCHEMBL8965905 0.82 PTGIR (0.52) PTGIRTBXAS1PTGDR2TBXA2R
SCHEMBL8965065 0.81 PTGIR (0.53) PTGIRKMT2AL3MBTL1TBXAS1PTGDR2
SCHEMBL8965375 0.79 PTGDR2 (0.63) PTGIRPTGDR2
SCHEMBL8965896 0.78 PTGIR (0.53) PTGIRTBXAS1PTGDR2TBXA2R
SCHEMBL8354769 0.78 PTGIR (0.55) PTGIRKMT2APTGDR2
SCHEMBL8804127 0.76 PTGDR2 (0.67) PTGIRPTGDR2
SCHEMBL8965748 0.76 PTGIR (0.57) PTGIRTBXAS1PTGDR2TBXA2R
SCHEMBL3176262 0.75 PTGDR2 (0.67) PTGIRKMT2AL3MBTL1TBXAS1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378716-A Prostaglandin agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-03 US claimed
EP-0558062-A2 Phenoxyacetic acid derivatives and pharmaceutical compositions containing them ONO PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP claimed
US-5536736-A CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-16 US disclosed
US-5378716-A Prostaglandin agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-03 US disclosed
EP-0558062-A2 Phenoxyacetic acid derivatives and pharmaceutical compositions containing them ONO PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP disclosed