SCHEMBL9049152

SCHEMBL9049152

C=C(C(=O)NN(c1ccccc1)c1ccccc1)C1CCc2c(C(=O)C(=O)O)cccc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.38
PIN1 Q13526 3/20 0.33
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ACHE P22303 2/20 0.30

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
SCHEMBL9047848 0.94 PTGIR (0.43) PTGIRLMNAGAA
SCHEMBL8858455 0.80 PTGIR (0.61) PTGIR
SCHEMBL9048927 0.80 PTGIR (0.43) PTGIRLMNAGAA
SCHEMBL9567959 0.75 HTT (0.46) PTGIRPIN1LMNA
SCHEMBL8858680 0.74 PTGIR (0.67) PTGIR
SCHEMBL9568056 0.71 PTGIR (0.40) PTGIRLMNAGAA
SCHEMBL9427205 0.71 PTGIR (0.69) PTGIR
SCHEMBL9427118 0.70 PTGIR (0.61) PTGIR
SCHEMBL9427356 0.67 PTGIR (0.55) PTGIR
SCHEMBL9050245 0.65 PTGIR (0.60) PTGIRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP disclosed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed