SCHEMBL8923693

SCHEMBL8923693

CO/C(=C\C=C\c1ccc(N(C)C)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.59
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
HSD17B3 P37058 1/20 0.50
RELA Q04206 1/20 0.46
MAOB P27338 1/20 0.46
PTGS1 P23219 1/20 0.45
MMP9 P14780 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL8923712 1.00 APP (0.59) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL8923704 1.00 APP (0.59) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL8924627 0.83 TYR (0.53) APPMAOBMMP9MAPTRAB9A
SCHEMBL8924620 0.83 TYR (0.53) APPMAOBMMP9MAPTRAB9A
SCHEMBL8924615 0.83 TYR (0.53) APPMAOBMMP9MAPTRAB9A
SCHEMBL8921219 0.82 LMNA (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8921211 0.82 LMNA (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8921206 0.82 LMNA (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8923348 0.81 HDAC2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8923356 0.81 HDAC2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0802897-A1 NOVEL COMPOUNDS Smithkline Beecham S.p.A. (IT) 1997-10-29 EP disclosed
WO-1996021638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM S.P.A. (IT) 1996-07-18 WO disclosed