SCHEMBL9048366

SCHEMBL9048366

O=C(CCC1CCc2c(cccc2C(=O)C(=O)O)C1)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
PRCP P42785 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9048134 0.89 PTGIR (0.45) PTGIRALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL9046367 0.84 PTGIR (0.39) PTGIRALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL9051775 0.83 PTGIR (0.40) PTGIRALDH1A1KMT2AMEN1GAA
SCHEMBL9567978 0.83 ALDH1A1 (0.46) PTGIRALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL9048870 0.81 ALDH1A1 (0.40) PTGIRALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL9427356 0.81 PTGIR (0.55) PTGIRKDM4E
SCHEMBL9048378 0.81 PTGIR (0.68) PTGIR
SCHEMBL9049412 0.81 ALDH1A1 (0.39) PTGIRALDH1A1KMT2AMEN1GAA
SCHEMBL9045869 0.79 LMNA (0.51) ALDH1A1KMT2AL3MBTL1MEN1GAA
SCHEMBL9048745 0.78 PTGIR (0.44) PTGIR

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