SCHEMBL9048910

SCHEMBL9048910

O=C(CCC1CCCc2c(C(=O)C(=O)O)cccc21)NOC(c1ccccc1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.41
TBXAS1 P24557 1/20 0.41
KDM4C Q9H3R0 10/20 0.41
FAAH O00519 1/20 0.37
TAOK1 Q7L7X3 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
KDM5A P29375 2/20 0.35
KDM5B Q9UGL1 2/20 0.35

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
SCHEMBL9051691 0.92 PTGIR (0.46) PTGIRKDM4C
SCHEMBL9049505 0.85 KDM4C (0.41) PTGIRTBXAS1KDM4CTAOK1ITGB3
SCHEMBL8858502 0.85 PTGIR (0.60) PTGIRTBXAS1KDM4C
SCHEMBL9567988 0.85 TAOK1 (0.47) PTGIRTBXAS1KDM4CFAAHTAOK1
SCHEMBL9047961 0.84 TBXAS1 (0.40) PTGIRTBXAS1KDM4CTAOK1ITGB3
SCHEMBL9047720 0.83 PTGIR (0.43) PTGIRKDM4C
SCHEMBL9049959 0.82 PTGIR (0.43) PTGIRTBXAS1KDM4CFAAH
SCHEMBL9050245 0.79 PTGIR (0.60) PTGIRTBXAS1KDM4CKDM5AKDM5B
SCHEMBL9048498 0.78 TBXAS1 (0.41) PTGIRTBXAS1KDM4CKDM5B
SCHEMBL9048207 0.78 PTGIR (0.46) PTGIR

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