SCHEMBL10470717

SCHEMBL10470717

COc1ccccc1C1OC(c2cccnc2)OCC1C/C=C\CCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 19/20 0.67
▸ PTGIS Q16647 5/20 0.60
▸ TBXA2R P21731 2/20 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
SCHEMBL10470715 0.95 TBXAS1 (0.75) TBXAS1PTGISTBXA2R
SCHEMBL10470041 0.93 TBXAS1 (0.59) TBXAS1PTGISTBXA2R
SCHEMBL10471022 0.89 TBXAS1 (0.63) TBXAS1PTGISTBXA2R
SCHEMBL10470716 0.88 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL10471495 0.87 TBXAS1 (0.53) TBXAS1PTGIS
SCHEMBL10470778 0.85 TBXAS1 (0.75) TBXAS1TBXA2R
SCHEMBL10471108 0.83 TBXAS1 (0.80) TBXAS1PTGISTBXA2R
SCHEMBL10471482 0.82 CYP1A2 (0.49) TBXAS1PTGISTBXA2R
SCHEMBL9158134 0.82 TBXAS1 (0.90) TBXAS1PTGISTBXA2R
SCHEMBL10471085 0.82 TBXAS1 (0.94) TBXAS1PTGISTBXA2R

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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