SCHEMBL9549805

SCHEMBL9549805

CCOC(=O)C(C)=Cc1ccc(Cc2cccnc2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TBXAS1 P24557 6/20 0.43
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.37

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
SCHEMBL10968079 1.00 MAPT (0.44) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11021230 0.88 MAPT (0.44) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11021227 0.88 MAPT (0.44) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11022676 0.87 MAPT (0.43) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11022677 0.87 MAPT (0.43) MAPTMAPK1CYP1A2CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL11021082 0.87 TBXAS1 (0.45) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11022833 0.87 MAPK1 (0.43) MAPTMAPK1CYP1A2CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL11021095 0.87 TBXAS1 (0.45) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11022827 0.87 MAPK1 (0.43) MAPTMAPK1CYP1A2CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL11020300 0.86 TBXAS1 (0.44) MAPTMAPK1CYP1A2CYP2C19CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60172964-A None JP disclosed
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
JP-S60172964-A CINNAMIC ACID DERIVATIVE AND ITS PREPARATION TANABE SEIYAKU CO LTD 1985-09-06 JP disclosed
EP-0153678-A1 Cinnamic acid derivatives, processes for the preparation thereof and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1985-09-04 EP disclosed