SCHEMBL9549672

SCHEMBL9549672

COc1c(C)c(C)c(OC)c(C(CCCCO)c2cccnc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.43
PDE4D Q08499 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
KCNA5 P22460 4/20 0.35
KCNH2 Q12809 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL9549723 0.99 TBXAS1 (0.45) TBXAS1PDE4DSMN1; SMN2KCNA5KCNH2
SCHEMBL9549725 0.99 TBXAS1 (0.45) TBXAS1PDE4DSMN1; SMN2KCNA5KCNH2
SCHEMBL9549814 0.96 TBXAS1 (0.41) TBXAS1PDE4DSMN1; SMN2KCNA5KCNH2
SCHEMBL9549591 0.88 PDE4D (0.44) TBXAS1PDE4DSMN1; SMN2KCNA5KCNH2
SCHEMBL9549777 0.88 PDE4D (0.48) TBXAS1PDE4DSMN1; SMN2KCNA5KCNH2
SCHEMBL9549822 0.87 TBXAS1 (0.61) TBXAS1
SCHEMBL9549707 0.86 TBXAS1 (0.63) TBXAS1
SCHEMBL9549642 0.86 TBXAS1 (0.63) TBXAS1
SCHEMBL9549853 0.86 TBXAS1 (0.56) TBXAS1PDE4D
SCHEMBL9549752 0.85 TBXAS1 (0.41) TBXAS1PDE4DKCNA5KCNH2GAA

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