SCHEMBL10540544

SCHEMBL10540544

COc1ccccc1C1OC(c2ccsc2)OCC1C/C=C\CCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 17/20 0.65
▸ TBXA2R P21731 3/20 0.54
▸ 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
▸ 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
SCHEMBL10540013 0.87 TBXA2R (0.70) TBXAS1TBXA2RMEN1CYP1A2CYP3A4
SCHEMBL10544860 0.85 TBXA2R (0.55) TBXAS1TBXA2RMEN1CYP1A2CYP3A4
SCHEMBL12329694 0.84 TBXA2R (0.54) TBXAS1TBXA2RMEN1CYP1A2CYP3A4
SCHEMBL12329914 0.84 TBXA2R (0.76) TBXAS1TBXA2RMEN1CYP1A2CYP3A4
SCHEMBL2941082 0.84 TBXA2R (0.76) TBXAS1TBXA2RMEN1CYP1A2CYP3A4
SCHEMBL2934089 0.84 TBXA2R (0.76) TBXAS1TBXA2RMEN1CYP1A2CYP3A4
SCHEMBL2934087 0.84 TBXA2R (0.76) TBXAS1TBXA2RMEN1CYP1A2CYP3A4
SCHEMBL2940115 0.84 TBXA2R (0.76) TBXAS1TBXA2RMEN1CYP1A2CYP3A4
SCHEMBL1897768 0.84 TBXA2R (0.76) TBXAS1TBXA2RMEN1CYP1A2CYP3A4
SCHEMBL1895403 0.84 TBXA2R (0.76) TBXAS1TBXA2RMEN1CYP1A2CYP3A4

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
US-4822815-A ANTAGONIZING ACTIONS OF THROMBOXANE A2 IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-04-18 — — US disclosed
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