SCHEMBL9549777

SCHEMBL9549777

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.48
TBXAS1 P24557 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
KCNA5 P22460 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP19A1 P11511 1/20 0.35
KCNN4 O15554 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
SCHEMBL9549591 0.95 PDE4D (0.44) PDE4DTBXAS1L3MBTL1SMN1; SMN2LMNA
SCHEMBL9549814 0.89 TBXAS1 (0.41) PDE4DTBXAS1L3MBTL1SMN1; SMN2LMNA
SCHEMBL9549672 0.88 TBXAS1 (0.43) PDE4DTBXAS1L3MBTL1SMN1; SMN2LMNA
SCHEMBL9549767 0.87 PDE4D (0.43) PDE4DL3MBTL1SMN1; SMN2LMNAKCNA5
SCHEMBL9549593 0.87 TBXAS1 (0.38) PDE4DTBXAS1KCNA5SLC6A2SLC6A4
SCHEMBL9549723 0.87 TBXAS1 (0.45) PDE4DTBXAS1L3MBTL1SMN1; SMN2LMNA
SCHEMBL9549725 0.87 TBXAS1 (0.45) PDE4DTBXAS1L3MBTL1SMN1; SMN2LMNA
SCHEMBL9549853 0.86 TBXAS1 (0.56) PDE4DTBXAS1
SCHEMBL9662366 0.85 SIGMAR1 (0.38) PDE4DCYP2C9
SCHEMBL9549752 0.85 TBXAS1 (0.41) PDE4DTBXAS1KCNA5KCNN4KCNH2

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