SCHEMBL9051610

SCHEMBL9051610

O=C(CC1CCc2c(OC(=O)CO)cccc21)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
PTGIR P43119 4/20 0.39
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 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
SCHEMBL9050616 0.94 PTGIR (0.46) SLC6A4SLC6A3PTGIRKMT2AL3MBTL1
SCHEMBL9048978 0.85 PTGIR (0.41) PTGIRACHEMAOAMAOB
SCHEMBL9051611 0.85 PTGIR (0.54) PTGIR
SCHEMBL9048210 0.84 PTGIR (0.53) PTGIR
SCHEMBL9048346 0.82 PTGIR (0.52) PTGIR
SCHEMBL9048138 0.81 PTGIR (0.52) SLC6A4SLC6A3PTGIRALDH1A1
SCHEMBL9047724 0.80 PTGIR (0.48) PTGIR
SCHEMBL9427064 0.80 LMNA (0.45) LMNAPTGIR
SCHEMBL9050622 0.79 PTGIR (0.62) PTGIR
SCHEMBL9051607 0.79 KMT2A (0.43) SLC6A4SLC6A3LMNATSHRKMT2A

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