SCHEMBL9048346

SCHEMBL9048346

O=C(CCCC1CCCc2c(OC(=O)CO)cccc21)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.52
SIGMAR1 Q99720 6/20 0.43
HTR1A P08908 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL9048210 0.94 PTGIR (0.53) PTGIRSIGMAR1
SCHEMBL9050616 0.88 PTGIR (0.46) PTGIRSIGMAR1
SCHEMBL9048350 0.87 PTGIR (0.69) PTGIRSIGMAR1
SCHEMBL9050869 0.82 PTGIR (0.53) PTGIRSIGMAR1
SCHEMBL9051610 0.82 SLC6A4 (0.40) PTGIR
SCHEMBL9048344 0.82 PTGIR (0.45) PTGIRSIGMAR1
SCHEMBL9051694 0.81 PTGIR (0.52) PTGIRSIGMAR1
SCHEMBL9427064 0.81 LMNA (0.45) PTGIR
SCHEMBL9048216 0.81 PTGIR (0.71) PTGIRSIGMAR1
SCHEMBL9568000 0.80 ALDH1A1 (0.43) SIGMAR1

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-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