SCHEMBL9049336

SCHEMBL9049336

O=C(CCC1=CCCc2c(C(=O)C(=O)O)cccc21)NC(c1ccccc1)c1cc[nH]c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.39
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
SLC6A9 P48067 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.32
PTGDR Q13258 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL9049399 0.92 KMT2A (0.41) PTGIRKMT2AL3MBTL1MEN1SLC6A9
SCHEMBL9568057 0.85 ALDH1A1 (0.39) PTGIRKMT2AL3MBTL1MEN1SLC6A9
SCHEMBL8858542 0.84 PTGIR (0.58) PTGIRMAPTPTGDRTSHRTDP1
SCHEMBL9050019 0.81 PTGIR (0.38) PTGIRKMT2AL3MBTL1MEN1
SCHEMBL9051425 0.80 PTGIR (0.33) PTGIRKMT2AL3MBTL1MEN1SLC6A9
SCHEMBL9568093 0.75 ALDH1A1 (0.45) KMT2AL3MBTL1MEN1SLC6A9SLC6A5
SCHEMBL9049403 0.74 PTGIR (0.45) PTGIRKMT2AL3MBTL1MEN1SLC6A9
SCHEMBL8858403 0.74 PTGIR (0.61) PTGIRKMT2AL3MBTL1SLC6A9SLC6A5
SCHEMBL8858416 0.66 PTGIR (0.57) PTGIRKMT2AMEN1ALDH1A1MAPT
SCHEMBL8858459 0.66 PTGIR (0.50) PTGIRMAPTPTGDR

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