SCHEMBL10470554

SCHEMBL10470554

O=C(O)CCCCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.75
TBXA2R P21731 1/20 0.75

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
SCHEMBL10471121 0.98 TBXAS1 (0.76) TBXAS1TBXA2R
SCHEMBL7690245 0.98 TBXAS1 (0.76) TBXAS1TBXA2R
SCHEMBL3159035 0.94 TBXAS1 (0.74) TBXAS1TBXA2R
(E)-Isbogrel SCHEMBL4060 0.87 TBXAS1 (1.00) TBXAS1TBXA2R
Isbogrel SCHEMBL7766547 0.87 TBXAS1 (1.00) TBXAS1TBXA2R
(E)-Isbogrel SCHEMBL4061 0.87 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL2377776 0.86 TBXAS1 (0.73) TBXAS1TBXA2R
(E)-Isbogrel SCHEMBL10632111 0.85 TBXAS1 (0.97) TBXAS1TBXA2R
Isbogrel SCHEMBL10632116 0.85 TBXAS1 (0.97) TBXAS1TBXA2R
SCHEMBL10634973 0.85 TBXAS1 (1.00) TBXAS1TBXA2R

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-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
EP-0298466-A2 Substituted alkene carboxylic acid amides and derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed