SCHEMBL9017307

SCHEMBL9017307

COC(=O)COc1cccc2c1CCC(C(C)N(C)C(=O)OC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 17/20 0.49
TBXAS1 P24557 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL7779776 0.84 PTGIR (0.55) PTGIRTBXAS1
SCHEMBL9017302 0.82 PTGIR (0.58) PTGIRTBXAS1
SCHEMBL7778755 0.78 PTGIR (0.57) PTGIRTBXAS1
SCHEMBL7778591 0.75 PTGIR (0.66) PTGIRTBXAS1
SCHEMBL9017314 0.74 MTNR1A (0.50) PTGIRCA1CA2ACHE
SCHEMBL7778511 0.72 CA1 (0.53) PTGIRTBXAS1CA1CA2ACHE
SCHEMBL9017305 0.72 MTNR1A (0.48) PTGIRCA1CA2ACHE
SCHEMBL8576525 0.71 PTGIR (0.62) PTGIRTBXAS1
SCHEMBL8411111 0.71 PTGIR (0.45) PTGIRTBXAS1
SCHEMBL7778560 0.71 PTGIR (0.62) PTGIRTBXAS1CA1CA2ACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749424-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 EP disclosed