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Sugi Predict / Compounds / SCHEMBL9005685

SCHEMBL9005685

SCHEMBL9005685

C/C(CC1CCc2c(cccc2OCC(=O)O)C1)=N/OC(c1ccccc1)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 1.00
▸ PTGIR P43119 18/20 0.85
▸ PTGDR Q13258 1/20 0.46

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
SCHEMBL9005691 1.00 TBXAS1 (1.00) TBXAS1PTGIRPTGDR
SCHEMBL9005696 0.93 PTGIR (0.90) TBXAS1PTGIR
SCHEMBL9005697 0.93 PTGIR (0.90) TBXAS1PTGIR
SCHEMBL9005624 0.93 PTGIR (1.00) TBXAS1PTGIR
SCHEMBL9005620 0.93 PTGIR (1.00) TBXAS1PTGIR
SCHEMBL9005632 0.88 PTGIR (0.84) TBXAS1PTGIR
SCHEMBL9005639 0.88 PTGIR (0.84) TBXAS1PTGIR
SCHEMBL9005709 0.88 PTGIR (0.90) TBXAS1PTGIR
SCHEMBL9005705 0.88 PTGIR (0.90) TBXAS1PTGIR
SCHEMBL9005769 0.87 PTGIR (0.88) TBXAS1PTGIR

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-0578847-B1 Fused benzeneoxyacetic acid derivatives and their use as PG12 antagonists ONO PHARMACEUTICAL CO (JP) 1996-10-09 — — EP claimed
EP-0578847-A1 Fused benzeneoxyacetic acid derivatives and their use as PG12 antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 — — EP claimed