SCHEMBL9048009

SCHEMBL9048009

NC(=O)C(C1CCc2c(cccc2OC(=O)CO)C1)C(c1ccccc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.44
PTGIR P43119 11/20 0.38
TRPM8 Q7Z2W7 3/20 0.35
LMNA P02545 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
NR1I2 O75469 1/20 0.33
PTGDR Q13258 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
SCHEMBL9047215 0.89 TBXAS1 (0.57) TBXAS1PTGIRPTGDR
SCHEMBL9427288 0.84 TBXAS1 (0.40) TBXAS1PTGIRTRPM8LMNANR1I2
SCHEMBL9048005 0.83 TBXAS1 (0.37) TBXAS1TRPM8NR1I2
SCHEMBL9568045 0.83 TAOK1 (0.39) TBXAS1TRPM8LMNASLC6A2SLC6A4
SCHEMBL9427236 0.79 PTGIR (0.43) PTGIR
SCHEMBL9048119 0.78 PTGIR (0.42) PTGIR
SCHEMBL9427442 0.78 PTGIR (0.41) PTGIR
SCHEMBL9049522 0.77 TBXAS1 (0.41) TBXAS1PTGIRPTGDR
SCHEMBL9051195 0.76 TBXAS1 (0.44) TBXAS1PTGIR
SCHEMBL9048596 0.73 PTGIR (0.43) PTGIRPTGDR

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