SCHEMBL3463761

SCHEMBL3463761

CC(N)OB(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.48
ORAI2 Q96SN7 1/20 0.48
ORAI3 Q9BRQ5 1/20 0.48
TRPV6 Q9H1D0 1/20 0.48
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
TRPM2 O94759 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 2/20 0.37
TAAR1 Q96RJ0 2/20 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
SCHEMBL7461066 0.81 ORAI1 (0.52) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL4174754 0.78 KDM4E (0.42) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL2407845 0.78 ORAI1 (0.40) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL5710601 0.72 ORAI1 (0.48) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL12270707 0.71 DPP4 (0.48) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL2404970 0.70 CYP3A4 (0.49) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL12318751 0.70 ORAI1 (0.40) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL2031393 0.70 ANPEP (0.38) TSHRSLC6A2TAAR1MAOASLC6A4
SCHEMBL2407157 0.70 IDO1 (0.30)
SCHEMBL10454943 0.69 SLC6A2 (0.41) ORAI1ORAI2ORAI3TRPV6KDM4E

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808348-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen MA Inc. (US) 2021-04-21 EP claimed
US-20130183289-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN IDEC MA INC (US) 2013-07-18 US claimed
EP-2200611-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen Idec MA, Inc. (US) 2010-06-30 EP claimed
WO-2009038684-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN IDEC MA INC. (US) 2009-03-26 WO claimed
EP-3808348-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen MA Inc. (US) 2021-04-21 EP disclosed
EP-3025714-B9 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-11-18 EP disclosed
EP-3025714-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-07-15 EP disclosed
US-20200197544-A1 JCV IMAGING METHODS AND COMPOSITIONS BIOGEN MA INC (US) 2020-06-25 US disclosed
EP-3615681-A1 JCV IMAGING METHODS AND COMPOSITIONS Biogen MA Inc. (US) 2020-03-04 EP disclosed
EP-2869826-B1 PEST REPELLENTS FROM PLANT EXTRACTS EDEN SHIELD LTD (IL) 2019-05-15 EP disclosed
WO-2018200791-A1 JCV IMAGING METHODS AND COMPOSITIONS BIOGEN MA INC. (US) 2018-11-01 WO disclosed
EP-2890689-B1 DIHYDROCHALCONE DERIVATIVES AND THEIR USE AS ANTIBIOTIC AGENTS UNIV DU QUEBEC A CHICOUTIMI (CA) 2018-08-08 EP disclosed
WO-1999034810-A1 A PROCESS FOR THE ISOLATION, RECOVERY AND PURIFICATION OF NON-POLAR EXTRACTIVES HER MAJESTY IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF AGRICULTURE AND AGRI-FOOD CANADA (CA) 1999-07-15 WO disclosed
US-5753697-A ANTIRADICAL AND-OR ANTILIPOPEROXIDATIVE AND-OR HEPATOTROPIC PROPERTIES LABORATOIRES DOLISOS (FR) 1998-05-19 US disclosed
WO-1997011951-A1 FUNGICIDES ZENECA LIMITED (GB) 1997-04-03 WO disclosed
EP-0449557-B1 Recovery of values from cereal wastes CA MINISTER AGRICULTURE & FOOD (CA) 1996-09-04 EP disclosed
EP-0706392-A1 USE OF ROSMANOL DERIVATIVES FOR PRODUCING ANTIRADICAL AND/OR ANTILIPOPEROXIDATIVE AND/OR HEPATOTROPIC DRUGS LABORATOIRES DOLISOS (FR) 1996-04-17 EP disclosed
WO-1995001174-A1 USE OF ROSMANOL DERIVATIVES FOR PRODUCING ANTIRADICAL AND/OR ANTILIPOPEROXIDATIVE AND/OR HEPATOTROPIC DRUGS LABORATOIRES DOLISOS (FR) 1995-01-12 WO disclosed
US-5169660-A Steeping cereals in water to liquify endosperm, then macerating them in aqueous ethanol solution, separation and recovery of bran and endosperm materials HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE MINISTER OF AGRICULTURE (CA) 1992-12-08 US disclosed
EP-0449557-A2 Recovery of values from cereal wastes Her Majesty in Right of Canada as represented by the Minister of Agriculture Canada (CA) 1991-10-02 EP disclosed