SCHEMBL8965748

SCHEMBL8965748

O=C(O)COc1ccc(CCn2cc(C(c3ccccc3)c3ccccc3)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.57
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
PTGDR2 Q9Y5Y4 4/20 0.46
ALOX15 P16050 1/20 0.43
TBXA2R P21731 1/20 0.43
TBXAS1 P24557 1/20 0.43
PTPN1 P18031 1/20 0.41
FFAR1 O14842 1/20 0.41
PLA2G4A P47712 1/20 0.41

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
SCHEMBL8965896 0.93 PTGIR (0.53) PTGIRPPARDPPARAPTGDR2ALOX15
SCHEMBL8965905 0.92 PTGIR (0.52) PTGIRPPARDPPARAPTGDR2TBXA2R
SCHEMBL8965139 0.88 PTGDR2 (0.61) PTGIRPPARAPTGDR2
SCHEMBL8965035 0.82 PTGDR2 (0.55) PTGIRPPARAPTGDR2
SCHEMBL8804127 0.81 PTGDR2 (0.67) PTGIRPPARAPTGDR2
SCHEMBL8965375 0.81 PTGDR2 (0.63) PTGIRPPARAPTGDR2
SCHEMBL8965703 0.81 PTGDR2 (0.65) PTGIRPTGDR2ALOX15
SCHEMBL8358618 0.78 PTGIR (0.56) PTGIRPPARAPTGDR2
SCHEMBL8350938 0.78 PTGIR (0.46) PTGIRPTGDR2ALOX15
SCHEMBL8966026 0.77 PTGIR (0.61) PTGIRPTGDR2TBXA2RTBXAS1

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