SCHEMBL9048207

SCHEMBL9048207

O=C(CCC1CCCc2c(C(=O)C(=O)O)cccc21)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.46
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SIGMAR1 Q99720 2/20 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
SCHEMBL9048344 0.94 PTGIR (0.45) PTGIRKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL9049505 0.90 KDM4C (0.41) PTGIR
SCHEMBL9050611 0.89 KMT2A (0.44) PTGIRKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL9051691 0.85 PTGIR (0.46) PTGIRSIGMAR1
SCHEMBL9051607 0.83 KMT2A (0.43) KMT2AL3MBTL1MEN1ALDH1A1GAA
SCHEMBL9047961 0.83 TBXAS1 (0.40) PTGIRLMNA
SCHEMBL9427205 0.81 PTGIR (0.69) PTGIRKDM4ESIGMAR1
SCHEMBL9567963 0.81 ALDH1A1 (0.44) PTGIRKMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL9048216 0.81 PTGIR (0.71) PTGIRSIGMAR1
SCHEMBL9048210 0.81 PTGIR (0.53) PTGIRSIGMAR1

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