SCHEMBL6419665

SCHEMBL6419665

CN1CCN(c2cc(C(=O)/C=C/c3ccc(C(=O)O)c(OC(=O)c4ccc(C#CC(O)c5cc(N6CCN(C)CC6)c(OCc6ccccc6)c(C(C)(C)C)c5)cc4O)c3)cc(C(C)(C)C)c2OCc2ccccc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
GSK3B P49841 1/20 0.32
BACE1 P56817 1/20 0.32
TNFRSF1A P19438 3/20 0.32
MAOB P27338 3/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
MAOA P21397 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL6419668 1.00 APP (0.35) APPALDH1A1LMNATHRBGSK3B
SCHEMBL6419661 0.94 APP (0.37) APPALDH1A1LMNATHRBTNFRSF1A
SCHEMBL6424544 0.85 MEN1 (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2TLR9
SCHEMBL1406754 0.85 MAPK1 (0.37) ALDH1A1LMNAMAOBMEN1HPGD
SCHEMBL1406397 0.82 TNFRSF1A (0.43) APPALDH1A1LMNATHRBTNFRSF1A
SCHEMBL1406860 0.82 TNFRSF1A (0.43) APPALDH1A1LMNATHRBTNFRSF1A
SCHEMBL6419213 0.82 APP (0.31) APP
SCHEMBL6422665 0.80 ABCB1 (0.31) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL6422669 0.80 ABCB1 (0.31) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL6419217 0.78 APP (0.32) APPTNFRSF1A

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-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP claimed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO claimed