SCHEMBL9549768

SCHEMBL9549768

COc1c(C)c(C)c(OC)c(C(CCCCCOC(C)=O)c2cccnc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.46
PDE4D Q08499 2/20 0.41
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
TBXA2R P21731 1/20 0.35
EPHX2 P34913 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
SCHEMBL9549621 0.99 TBXAS1 (0.44) TBXAS1PDE4DLMNAMEN1CYP1A2
SCHEMBL9549760 0.96 TBXAS1 (0.42) TBXAS1PDE4DLMNAMEN1CYP1A2
SCHEMBL9549642 0.86 TBXAS1 (0.63) TBXAS1TBXA2R
SCHEMBL9549707 0.86 TBXAS1 (0.63) TBXAS1TBXA2R
SCHEMBL9549822 0.85 TBXAS1 (0.61) TBXAS1TBXA2R
SCHEMBL9549723 0.85 TBXAS1 (0.45) TBXAS1PDE4DLMNACYP3A4L3MBTL1
SCHEMBL9549725 0.85 TBXAS1 (0.45) TBXAS1PDE4DLMNACYP3A4L3MBTL1
SCHEMBL9549853 0.84 TBXAS1 (0.56) TBXAS1PDE4DTBXA2R
SCHEMBL9549672 0.84 TBXAS1 (0.43) TBXAS1PDE4DLMNACYP3A4L3MBTL1
SCHEMBL9549591 0.84 PDE4D (0.44) TBXAS1PDE4DLMNAL3MBTL1

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