SCHEMBL10471493

SCHEMBL10471493

COc1ccccc1C1OC(CCc2cccnc2)OCC1C/C=C\CCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 20/20 0.57
▸ PTGIS Q16647 8/20 0.57

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
SCHEMBL10471097 0.88 TBXAS1 (0.63) TBXAS1PTGIS
SCHEMBL10471495 0.87 TBXAS1 (0.53) TBXAS1PTGIS
SCHEMBL10469626 0.86 CYP1A2 (0.48) TBXAS1PTGIS
SCHEMBL10470715 0.83 TBXAS1 (0.75) TBXAS1PTGIS
SCHEMBL10401683 0.82 TBXA2R (0.54) TBXAS1PTGIS
SCHEMBL10471528 0.82 TBXAS1 (0.47) TBXAS1PTGIS
SCHEMBL10401533 0.81 TBXA2R (0.48) TBXAS1PTGIS
SCHEMBL10469780 0.81 TBXAS1 (0.65) TBXAS1
SCHEMBL10350310 0.80 TBXA2R (0.50) TBXAS1PTGIS
SCHEMBL10471165 0.80 TBXAS1 (0.60) TBXAS1PTGIS

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
US-4921866-A 1,3-dioxanes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-01 — — US disclosed
EP-0288279-A2 1,3-Dioxanes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-26 — — EP disclosed
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