SCHEMBL9048934

SCHEMBL9048934

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.39
DRD4 P21917 1/20 0.35
ACHE P22303 2/20 0.34
NR1H3 Q13133 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL9050478 0.91 PTGIR (0.39) PTGIRDRD4ACHE
SCHEMBL9048942 0.86 PTGIR (0.55) PTGIR
SCHEMBL9048583 0.83 PTGIR (0.45) PTGIR
SCHEMBL9427080 0.82 PTGIR (0.39) PTGIRDRD4ACHE
SCHEMBL9047991 0.81 PTGIR (0.38) PTGIRDRD4ACHE
SCHEMBL9048929 0.80 TDP1 (0.36) PTGIRTDP1
SCHEMBL9046455 0.79 TBXAS1 (0.51) PTGIR
SCHEMBL9427236 0.78 PTGIR (0.43) PTGIRACHE
SCHEMBL9050662 0.78 PTGIR (0.47) PTGIR
SCHEMBL9427127 0.78 PTGIR (0.43) PTGIRDRD4ACHE

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