SCHEMBL8964950

SCHEMBL8964950

O=C(O)COc1cccc(CCCn2nncc2C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.68
PTGDR Q13258 1/20 0.55
PTGIR P43119 2/20 0.51
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3164718 0.81 PTGDR2 (1.00) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8804127 0.80 PTGDR2 (0.67) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8965345 0.79 PTGDR2 (0.69) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8965332 0.79 PTGDR2 (0.69) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL3168673 0.78 PTGDR2 (0.94) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8965375 0.78 PTGDR2 (0.63) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8358385 0.77 ALDH1A1 (0.42) PTGDR2PTGDR
SCHEMBL8965139 0.76 PTGDR2 (0.61) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8965283 0.76 PTGDR2 (0.57) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL3159628 0.76 PTGDR2 (1.00) PTGDR2PTGDRPTGIRPPARAPPARG

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-5536736-A CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-16 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