SCHEMBL3359159

SCHEMBL3359159

CN(C(=O)O)c1ccc(-c2ccc3cc(OCCOCCOCCO)ccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.47
RARB P10826 2/20 0.42
RARA P10276 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
ABL1 P00519 1/20 0.39
ALDH2 P05091 1/20 0.39
NCF1 P14598 3/20 0.39
MCHR1 Q99705 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3358155 0.93 APP (0.50) APPRARBRARAALDH1A1MAPK1
SCHEMBL2799628 0.85 APP (0.43) APPRARBRARAKDM4EALDH1A1
SCHEMBL3354848 0.84 BRAF (0.38) APPRARBALDH1A1
SCHEMBL14836106 0.81 APP (0.53) APPALDH1A1MAPK1
SCHEMBL2798800 0.81 APP (0.63) APPRARBRARAKDM4EALDH1A1
SCHEMBL2799769 0.79 APP (0.46) APPRARBRARAALDH1A1MAPK1
SCHEMBL2802807 0.77 APP (0.60) APPKDM4ETDP1MAPK1ABL1
SCHEMBL2801603 0.76 APP (0.63) APPKDM4ETDP1MAPK1NCF1
SCHEMBL2799466 0.76 APP (0.63) APPKDM4EALDH1A1TDP1MAPK1
SCHEMBL2800869 0.76 PAX8 (0.39) RARBRARAKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144916-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES The Trustees of the University of Pennsylvania (US) 2010-01-20 EP disclosed
WO-2008124812-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-16 WO disclosed