SCHEMBL9549607

SCHEMBL9549607

Cc1c(C)c(C)c(C(CCCCCCC(=O)O)c2cccnc2)c(C)c1C

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.74
TBXA2R P21731 3/20 0.51

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
SCHEMBL9549642 0.85 TBXAS1 (0.63) TBXAS1TBXA2R
SCHEMBL9549707 0.85 TBXAS1 (0.63) TBXAS1TBXA2R
SCHEMBL22172494 0.85 TBXA2R (0.64) TBXAS1TBXA2R
SCHEMBL9549822 0.83 TBXAS1 (0.61) TBXAS1TBXA2R
SCHEMBL9549815 0.81 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL2490139 0.81 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL9549853 0.80 TBXAS1 (0.56) TBXAS1TBXA2R
SCHEMBL8775807 0.79 TBXAS1 (0.82) TBXAS1TBXA2R
SCHEMBL8775856 0.79 TBXAS1 (0.82) TBXAS1TBXA2R
SCHEMBL2560770 0.77 TBXAS1 (0.71) TBXAS1

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