SCHEMBL9047720

SCHEMBL9047720

O=C(CC1CCCc2c(C(=O)C(=O)O)cccc21)NOC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.43
UGCG Q16739 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
KDM4C Q9H3R0 5/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 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
SCHEMBL9048971 0.94 PTGIR (0.37) PTGIRUGCG
SCHEMBL9051691 0.90 PTGIR (0.46) PTGIRSIGMAR1KDM4C
SCHEMBL9050611 0.84 KMT2A (0.44) PTGIRUGCGKDM4C
SCHEMBL9048910 0.83 PTGIR (0.41) PTGIRKDM4C
SCHEMBL9046164 0.82 PTGIR (0.37) PTGIR
SCHEMBL9047724 0.82 PTGIR (0.48) PTGIRSIGMAR1KDM4C
SCHEMBL9567986 0.82 UGCG (0.50) UGCGKDM4C
SCHEMBL9048858 0.78 PTGIR (0.46) PTGIRUGCG
SCHEMBL9051607 0.78 KMT2A (0.43)
SCHEMBL9567993 0.77 PRMT5 (0.49) UGCG

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