SCHEMBL3358155

SCHEMBL3358155

CN(C(=O)O)c1ccc2cc(-c3ccc(OCCOCCOCCO)cc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.50
RARB P10826 2/20 0.45
RARA P10276 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
DHODH Q02127 1/20 0.38
GAA P10253 1/20 0.38
MCHR1 Q99705 2/20 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
SCHEMBL3359159 0.93 APP (0.47) APPRARBRARAL3MBTL1ALDH1A1
SCHEMBL2798800 0.86 APP (0.63) APPRARBRARAL3MBTL1MEN1
SCHEMBL2799769 0.85 APP (0.46) APPRARBRARAL3MBTL1MEN1
SCHEMBL3354848 0.82 BRAF (0.38) APPRARBALDH1A1
SCHEMBL14836106 0.79 APP (0.53) APPMEN1USP2ALDH1A1LMNA
SCHEMBL2799628 0.79 APP (0.43) APPRARBRARAALDH1A1MAPK1
SCHEMBL2800433 0.76 APP (0.63) APP
SCHEMBL2799477 0.76 PAX8 (0.37) APPRARBRARAMCHR1
SCHEMBL2801561 0.74 APP (0.60) APPRARBRARAL3MBTL1MEN1
SCHEMBL4613135 0.74 L3MBTL1 (0.61) APPRARBRARAL3MBTL1MEN1

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