SCHEMBL9048468

SCHEMBL9048468

O=C(NC(c1ccccc1)c1cccnc1)NN(CCC1CCCc2c(C(=O)C(=O)O)cccc21)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.37
PTGIR P43119 5/20 0.37
KDM4C Q9H3R0 12/20 0.37
TAOK1 Q7L7X3 1/20 0.34
KDM6B O15054 3/20 0.33
KDM5B Q9UGL1 2/20 0.33
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
KDM5A P29375 1/20 0.33

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
SCHEMBL8858641 0.86 PTGIR (0.55) TBXAS1PTGIRKDM4C
SCHEMBL9046057 0.84 TBXAS1 (0.39) TBXAS1PTGIRKDM4CTAOK1KDM5B
SCHEMBL9568012 0.83 TAOK1 (0.35) TBXAS1PTGIRKDM4CTAOK1KDM6B
SCHEMBL9049505 0.82 KDM4C (0.41) TBXAS1PTGIRKDM4CTAOK1KDM5B
SCHEMBL9047961 0.81 TBXAS1 (0.40) TBXAS1PTGIRKDM4CTAOK1KDM5B
SCHEMBL9049155 0.78 TBXAS1 (0.40) TBXAS1PTGIRKDM4CTAOK1KDM5B
SCHEMBL9048661 0.78 TBXAS1 (0.40) TBXAS1PTGIRKDM4CTAOK1KDM5B
SCHEMBL9046069 0.77 KDM4C (0.41) TBXAS1PTGIRKDM4CKDM6BKDM5B
SCHEMBL9048498 0.77 TBXAS1 (0.41) TBXAS1PTGIRKDM4CKDM6BKDM5B
SCHEMBL9046403 0.76 TBXAS1 (0.39) TBXAS1PTGIRKDM4CTAOK1KDM5B

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