SCHEMBL9549752

SCHEMBL9549752

COc1c(C)c(C)c(OC)c(C(CCCCCC#N)c2cccnc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.41
PDE4D Q08499 2/20 0.36
KCNA5 P22460 4/20 0.35
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNN4 O15554 1/20 0.33

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
SCHEMBL9549593 0.95 TBXAS1 (0.38) TBXAS1PDE4DKCNA5GAAKDM4E
SCHEMBL9549591 0.87 PDE4D (0.44) TBXAS1PDE4DKCNA5KCNH2
SCHEMBL9549723 0.86 TBXAS1 (0.45) TBXAS1PDE4DKCNA5KCNH2
SCHEMBL9549725 0.86 TBXAS1 (0.45) TBXAS1PDE4DKCNA5KCNH2
SCHEMBL9549672 0.85 TBXAS1 (0.43) TBXAS1PDE4DKCNA5GAAKCNH2
SCHEMBL9549777 0.85 PDE4D (0.48) TBXAS1PDE4DKCNA5KCNH2KCNN4
SCHEMBL9549814 0.84 TBXAS1 (0.41) TBXAS1PDE4DKCNA5GAAKCNH2
SCHEMBL9549707 0.83 TBXAS1 (0.63) TBXAS1
SCHEMBL9549642 0.83 TBXAS1 (0.63) TBXAS1
SCHEMBL9549822 0.82 TBXAS1 (0.61) 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