SCHEMBL3413478

SCHEMBL3413478

COC(=O)/C=C/c1cccc(C2CCCCN2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.46
TTR P02766 1/20 0.43
APP P05067 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PTPN1 P18031 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL2169771 0.96 NR1H4 (0.44) NR1H4TTRAPPTDP1ALDH1A1
SCHEMBL1779674 0.85 CA12 (0.50) NR1H4TTRAPPALDH1A1KDM4E
SCHEMBL1779672 0.85 CA12 (0.50) NR1H4TTRAPPALDH1A1KDM4E
SCHEMBL1779673 0.85 CA12 (0.50) NR1H4TTRAPPALDH1A1KDM4E
SCHEMBL1779670 0.85 CA12 (0.50) NR1H4TTRAPPALDH1A1KDM4E
SCHEMBL1780164 0.84 CA12 (0.49) NR1H4TTRAPPALDH1A1KDM4E
SCHEMBL1780166 0.84 CA12 (0.49) NR1H4TTRAPPALDH1A1KDM4E
SCHEMBL1780168 0.84 CA12 (0.49) NR1H4TTRAPPALDH1A1KDM4E
SCHEMBL1780162 0.84 CA12 (0.49) NR1H4TTRAPPALDH1A1KDM4E
SCHEMBL1777992 0.81 CA12 (0.51) NR1H4TTRAPPALDH1A1KDM4E

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-2260020-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B Novartis AG (CH) 2010-12-15 EP disclosed
WO-2009118305-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2009-10-01 WO disclosed