SCHEMBL9048474

SCHEMBL9048474

NC(=O)C(c1ccccc1C(=O)c1ccccc1)C1CCCc2c(OC(=O)CO)cccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.36
SCN1A P35498 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD3 P35462 1/20 0.35
ABCB1 P08183 5/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
DRD4 P21917 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
SCHEMBL9048479 0.87 PTGIR (0.50) PTGIRSCN1ASCN5ASCN9ADRD2
SCHEMBL9046599 0.85 PTGIR (0.41) PTGIRSCN1ASCN5ASCN9ATAS1R3
SCHEMBL9048469 0.82 TRPM8 (0.34) SCN1ASCN5ASCN9A
SCHEMBL9427127 0.79 PTGIR (0.43) PTGIRDRD4
SCHEMBL9567990 0.78 TRPM8 (0.47) TAS1R3TAS1R1TAS1R2
SCHEMBL9048934 0.77 PTGIR (0.39) PTGIRDRD4
SCHEMBL9427080 0.77 PTGIR (0.39) PTGIRDRD4
SCHEMBL9047991 0.76 PTGIR (0.38) PTGIRDRD4
SCHEMBL9050562 0.76 NPSR1 (0.43) PTGIRSCN1ASCN5ASCN9ATAS1R3
SCHEMBL9050478 0.76 PTGIR (0.39) PTGIRDRD4

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