SCHEMBL9549809

SCHEMBL9549809

CC1=C(C)C(=O)C(C(CCCC(=O)O)c2cccnc2)=C(C)C1=O

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.60
TBXA2R P21731 3/20 0.46

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
SCHEMBL2490139 0.95 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL9549815 0.95 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL9549644 0.86 TBXAS1 (0.44) TBXAS1
SCHEMBL3431967 0.85 TBXAS1 (0.44) TBXAS1
SCHEMBL9549576 0.84 TBXAS1 (0.48) TBXAS1
SCHEMBL9734751 0.83 TBXAS1 (0.43) TBXAS1
SCHEMBL9549751 0.83 TBXAS1 (0.43) TBXAS1
SCHEMBL9549745 0.83 TBXAS1 (0.43) TBXAS1
SCHEMBL9308585 0.82 TBXAS1 (0.50) TBXAS1TBXA2R
SCHEMBL9308117 0.81 TBXAS1 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229385-A Thromboxane A2 and lipoxygenase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-20 US disclosed
US-5106858-A For disfunction of heart, brain, lung or kidney TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 US disclosed
EP-0234729-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-12-27 EP disclosed
US-4985447-A USEFUL FOR TREATMENT AND PREVENTION OF DISEASES DUE TO DYSFUNCTION OF HEART, BRAIN, LUNG AND KIDNEY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
US-4851413-A TREATMENT OF HEART, BRAIN, LUNG OR KIDNEY DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0234729-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-02 EP disclosed