SCHEMBL9549591

SCHEMBL9549591

CCCCCCC(c1cccnc1)c1c(C)c(OC)c(C)c(C)c1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.44
TBXAS1 P24557 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KCNA5 P22460 2/20 0.35
CFTR P13569 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GOPC Q9HD26 1/20 0.34
KCNH2 Q12809 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
SCHEMBL9549777 0.95 PDE4D (0.48) PDE4DTBXAS1L3MBTL1TDP1LMNA
SCHEMBL9549725 0.89 TBXAS1 (0.45) PDE4DTBXAS1L3MBTL1LMNASMN1; SMN2
SCHEMBL9549723 0.89 TBXAS1 (0.45) PDE4DTBXAS1L3MBTL1LMNASMN1; SMN2
SCHEMBL9549672 0.88 TBXAS1 (0.43) PDE4DTBXAS1L3MBTL1LMNASMN1; SMN2
SCHEMBL9549752 0.87 TBXAS1 (0.41) PDE4DTBXAS1KCNA5KCNH2
SCHEMBL9549814 0.87 TBXAS1 (0.41) PDE4DTBXAS1L3MBTL1LMNASMN1; SMN2
SCHEMBL9549707 0.86 TBXAS1 (0.63) TBXAS1
SCHEMBL9549642 0.86 TBXAS1 (0.63) TBXAS1
SCHEMBL9310562 0.86 MEN1 (0.42)
SCHEMBL9549822 0.85 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