SCHEMBL4160672

SCHEMBL4160672

O=C(O)c1cc(OCc2cc(OCCCCn3c4ccccc4c4ccccc43)cc(OCCCCn3c4ccccc4c4ccccc43)c2)cc(OCc2cc(OCCCCn3c4ccccc4c4ccccc43)cc(OCCCCn3c4ccccc4c4ccccc43)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
FABP4 P15090 2/20 0.48
FABP5 Q01469 2/20 0.48
NR4A2 P43354 2/20 0.47
PLA2G2A P14555 3/20 0.46
PSEN1 P49768 5/20 0.46
PSEN2 P49810 5/20 0.46
APH1B Q8WW43 5/20 0.46
NCSTN Q92542 5/20 0.46
APH1A Q96BI3 5/20 0.46
PSENEN Q9NZ42 5/20 0.46
CNR2 P34972 1/20 0.44
ACHE P22303 1/20 0.43
KCNA3 P22001 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL351636 0.93 FABP4 (0.55) MEN1KMT2AALDH1A1HPGDFABP4
SCHEMBL4151119 0.88 PSEN1 (0.47) ALDH1A1HPGDFABP4FABP5PSEN1
SCHEMBL4154432 0.81 PLA2G2A (0.63) ALDH1A1HPGDFABP4FABP5PLA2G2A
SCHEMBL4161570 0.80 KCNA3 (0.46) FABP4FABP5PSEN1PSEN2APH1B
SCHEMBL13696968 0.80 PSEN1 (0.49) MEN1KMT2AFABP4FABP5PSEN1
SCHEMBL350674 0.80 PSEN1 (0.52) FABP4FABP5PSEN1PSEN2APH1B
SCHEMBL2872778 0.79 PSEN1 (0.43) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL4725252 0.77 CNR2 (0.53) ALDH1A1HPGDPLA2G2APSEN1PSEN2
SCHEMBL2872681 0.77 PSEN1 (0.46) MEN1KMT2AFABP4FABP5PSEN1
SCHEMBL9323885 0.74 MEN1 (0.82) MEN1KMT2ANR4A2

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
US-9079999-B2 Methods for preparing polymer coatings by electrochemical grafting of polymer brushes, compositions prepared thereby and compositions for preparing the coatings ADVINCULA RIGOBERTO (US) 2015-07-14 US disclosed
US-20090236229-A1 METHODS FOR PREPARING POLYMER COATINGS BY ELECTROCHEMICAL GRAFTING OF POLYMER BRUSHES, COMPOSITIONS PREPARED THEREBY AND COMPOSITIONS FOR PREPARING THE COATINGS THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-09-24 US disclosed