SCHEMBL10544860

SCHEMBL10544860

COc1ccccc1C1OC(c2ccoc2)OCC1C/C=C\CCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 3/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TBXAS1 P24557 17/20 0.52
▸ PTGIS Q16647 4/20 0.49
▸ PDE9A O76083 1/20 0.44

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
SCHEMBL10544424 0.87 TBXA2R (0.71) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12329694 0.87 TBXA2R (0.54) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10540544 0.85 TBXAS1 (0.65) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2934087 0.84 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12329914 0.84 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1897768 0.84 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2934089 0.84 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2941082 0.84 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2940115 0.84 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1895403 0.84 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6

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-4822815-A ANTAGONIZING ACTIONS OF THROMBOXANE A2 IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-04-18 — — US disclosed
EP-0228887-A2 Dioxane hexenoic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-15 — — EP disclosed
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