SCHEMBL5402608

SCHEMBL5402608

COc1ccc(NCc2ccc(OCC(N)=O)cc2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ASPH Q12797 1/20 0.46
RIOX2 Q8IUF8 1/20 0.46
KDM8 Q8N371 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL5445350 0.88 NPC1 (0.60) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL5402602 0.87 MAPT (0.55) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL597148 0.83 MAPT (0.61) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL3529524 0.81 MAPT (0.56) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3529521 0.81 MAPT (0.56) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL597147 0.78 MAPT (0.52) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL10787691 0.78 RAB9A (0.55) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL11212890 0.76 KMT2A (0.57) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5522100 0.75 MAPT (0.51) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL1031505 0.75 MAPT (0.58) MAPTNPC1RAB9AALDH1A1MEN1

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-7183394-B1 Peptide nucleic acids with units of hydroxy-amino acids such as serine or threonine, a nucleobase, and an amino acid GARNER PHILIP P 2007-02-27 US disclosed
EP-1094072-A1 Peptides having corticotropin releasing factor (CRF) antagonist activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 2001-04-25 EP disclosed