SCHEMBL9049403

SCHEMBL9049403

O=C(CCC1=CCCc2c(OC(=O)CO)cccc21)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.45
PTGDR Q13258 1/20 0.42
TSHR P16473 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
KMT2A Q03164 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
SLC6A9 P48067 2/20 0.35
SLC6A5 Q9Y345 2/20 0.35
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8858403 0.86 PTGIR (0.61) PTGIRPTGDRTSHRSIGMAR1KMT2A
SCHEMBL9049399 0.81 KMT2A (0.41) PTGIRPTGDRTSHRKMT2AL3MBTL1
SCHEMBL8858542 0.79 PTGIR (0.58) PTGIRPTGDRTSHRSIGMAR1
SCHEMBL9568093 0.78 ALDH1A1 (0.45) TSHRSIGMAR1KMT2AL3MBTL1ALDH1A1
SCHEMBL8858416 0.77 PTGIR (0.57) PTGIRPTGDRSIGMAR1KMT2AALDH1A1
SCHEMBL9049336 0.74 PTGIR (0.39) PTGIRPTGDRTSHRKMT2AL3MBTL1
SCHEMBL8858459 0.74 PTGIR (0.50) PTGIRPTGDRSIGMAR1
SCHEMBL9050019 0.72 PTGIR (0.38) PTGIRKMT2AL3MBTL1MEN1
SCHEMBL9048210 0.71 PTGIR (0.53) PTGIRSIGMAR1
SCHEMBL9568057 0.71 ALDH1A1 (0.39) PTGIRTSHRSIGMAR1KMT2AL3MBTL1

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 3 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
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