SCHEMBL4964646

SCHEMBL4964646

CCCCCc1ccc(CNC(=O)c2ccc(-c3nc(CC(CC(=O)NCc4ccc(OCC(=O)O)cc4)c4ccccc4)cs3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
TP53 P04637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
PPARA Q07869 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KLKB1 P03952 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SCD O00767 2/20 0.40

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
SCHEMBL6031864 0.90 ALDH1A1 (0.47) MAPTTP53ALDH1A1EPHX2NR1H4
SCHEMBL5100823 0.86 TP53 (0.50) MAPTTP53ALDH1A1EPHX2NR1H4
SCHEMBL5094343 0.84 MAPT (0.56) MAPTTP53ALDH1A1EPHX2NR1H4
SCHEMBL5100835 0.83 MAPT (0.47) MAPTTP53ALDH1A1EPHX2NR1H4
SCHEMBL2472568 0.81 TP53 (0.49) MAPTTP53ALDH1A1EPHX2NR1H4
SCHEMBL2473901 0.79 TP53 (0.47) MAPTTP53ALDH1A1EPHX2NR1H4
SCHEMBL2473905 0.79 TP53 (0.47) MAPTTP53ALDH1A1EPHX2NR1H4
SCHEMBL14208442 0.79 MAPT (0.57) MAPTTP53ALDH1A1PPARASMN1; SMN2
SCHEMBL6032070 0.77 TP53 (0.48) MAPTTP53ALDH1A1EPHX2NR1H4
SCHEMBL2468727 0.77 TP53 (0.50) MAPTTP53ALDH1A1EPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP claimed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO claimed
EP-1656139-A1 ARYL DICARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-17 EP disclosed
WO-2005011685-A1 ARYL DICARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed