SCHEMBL3833773

SCHEMBL3833773

COc1ccc(-c2ncnc(-c3ccc(OCC(O)COC(C)C)cc3O)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
ADRB3 P13945 2/20 0.40
MAPT P10636 5/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
CDK4 P11802 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 1/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
MAPK10 P53779 2/20 0.38
MAPK1 P28482 1/20 0.38
PTK2B Q14289 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
IDH1 O75874 1/20 0.37
CASR P41180 1/20 0.37
CNR1 P21554 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
SCHEMBL276044 0.92 NPC1 (0.43) LMNAHTTADRB3MAPTKMT2A
SCHEMBL7887568 0.88 MAPT (0.42) LMNAADRB3MAPTKMT2ANPC1
SCHEMBL3833778 0.86 LMNA (0.42) LMNAHTTADRB3MAPTKMT2A
SCHEMBL3832554 0.82 LMNA (0.39) LMNAHTTADRB3MAPTKMT2A
SCHEMBL30996060 0.82 NR2E1 (0.46) HTTADRB3MAPTKMT2ANPC1
SCHEMBL7896079 0.82 NR2E1 (0.43) LMNAMAPTKMT2AMEN1ADRB2
SCHEMBL21514725 0.82 NPC1 (0.46) LMNAHTTADRB3MAPTKMT2A
SCHEMBL3832561 0.82 LMNA (0.38) LMNAHTTADRB3MAPTKMT2A
SCHEMBL6399579 0.80 MAPT (0.38) LMNAHTTADRB3MAPTKMT2A
SCHEMBL4980859 0.79 LMNA (0.49) LMNAHTTMAPTKMT2ANPC1

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
EP-2025324-B1 Method of Quenching Electronic Excitation of Chromophore-Containing Organic Molecules in Photoactive Compositions HALLSTAR INNOVATIONS CORP (US) 2013-08-14 EP claimed
EP-2025324-A1 Method of Quenching Electronic Excitation of Chromophore-Containing Organic Molecules in Photoactive Compositions HallStar Innovations Corp. (US) 2009-02-18 EP claimed
EP-2984071-A1 PHOTOPROTECTIVE COMPOUNDS, COMPOSITIONS INCLUDING SAME AND USES THEREOF Université de Rennes I (FR) 2016-02-17 EP disclosed
WO-2014167225-A1 PHOTOPROTECTIVE COMPOUNDS, COMPOSITIONS INCLUDING SAME AND USES THEREOF UNIVERSITE DE RENNES 1 (FR) 2014-10-16 WO disclosed
EP-1796659-A2 SILVER DIHYDROGEN CITRATE COMPOSITIONS Pure Bioscience (US) 2007-06-20 EP disclosed
WO-2006029213-A2 SILVER DIHYDROGEN CITRATE COMPOSITIONS PURE BIOSCIENCE (US) 2006-03-16 WO disclosed