SCHEMBL9549644

SCHEMBL9549644

CCCCC(C1=C(C)C(=O)C(C)=C(C)C1=O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.44
PDE4D Q08499 1/20 0.43
KCNA5 P22460 2/20 0.38
KCNN4 O15554 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
CFTR P13569 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GOPC Q9HD26 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 1/20 0.36
GRM2 Q14416 1/20 0.36
KCNH2 Q12809 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9549576 0.95 TBXAS1 (0.48) TBXAS1PDE4DKCNA5KCNN4L3MBTL1
SCHEMBL9549809 0.86 TBXAS1 (0.60) TBXAS1
SCHEMBL2490139 0.84 TBXAS1 (0.67) TBXAS1
SCHEMBL9549815 0.84 TBXAS1 (0.67) TBXAS1
SCHEMBL9549751 0.81 TBXAS1 (0.43) TBXAS1PDE4DLMNAEPHX2MAPK1
SCHEMBL9549745 0.81 TBXAS1 (0.43) TBXAS1PDE4DLMNAEPHX2MAPK1
SCHEMBL9734751 0.81 TBXAS1 (0.43) TBXAS1PDE4DLMNAEPHX2MAPK1
SCHEMBL3431967 0.81 TBXAS1 (0.44) TBXAS1PDE4DL3MBTL1SMN1; SMN2LMNA
SCHEMBL13955410 0.79 MEN1 (0.47)
SCHEMBL9910965 0.78 TBXAS1 (0.61) TBXAS1PDE4DKCNA5KCNN4L3MBTL1

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