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Sugi Predict / Compounds / SCHEMBL7779787

SCHEMBL7779787

SCHEMBL7779787

O=C(O)COc1cccc2c1CCC(O)(COC(=O)N(c1ccccc1)c1ccccc1)C2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 19/20 1.00
▸ PTGDR Q13258 7/20 0.65
▸ PTGER3 P43115 3/20 0.65
▸ PTGER1 P34995 2/20 0.65
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ PTGER4 P35408 2/20 0.37
▸ PTGER2 P43116 2/20 0.37

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
SCHEMBL7718277 0.94 PTGIR (0.89) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL7778581 0.90 PTGIR (0.81) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7776653 0.89 PTGIR (0.81) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL7772442 0.82 PTGIR (0.70) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL8486136 0.82 PTGIR (0.69) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7779689 0.82 PTGIR (0.69) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL7717833 0.81 PTGIR (0.71) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7778649 0.80 PTGIR (0.66) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7718905 0.79 PTGIR (0.65) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL6612986 0.79 PTGIR (1.00) PTGIRPTGDRPTGER3PTGER1PTGER4

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-B1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-12 — — EP disclosed