SCHEMBL9057914

SCHEMBL9057914

C/C(=C\c1ccc2ccn(Cc3ccccc3)c2c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.65
SNCA P37840 4/20 0.65
BACE1 P56817 2/20 0.58
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
BRD4 O60885 2/20 0.48
HTR6 P50406 1/20 0.47
TBXAS1 P24557 3/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
AKR1C3 P42330 1/20 0.45

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
SCHEMBL9057916 1.00 APP (0.65) APPSNCABACE1HDAC1HDAC2
SCHEMBL9034823 0.90 APP (0.65) APPSNCABACE1HDAC1HDAC2
SCHEMBL9034828 0.90 APP (0.65) APPSNCABACE1HDAC1HDAC2
SCHEMBL17792473 0.84 APP (0.46) APPSNCABACE1HDAC1HDAC2
SCHEMBL3222973 0.80 APP (0.64) APPSNCABACE1HDAC1HDAC2
SCHEMBL8388266 0.80 BACE1 (0.74) APPSNCABACE1HDAC1HDAC2
SCHEMBL9057918 0.76 BACE1 (0.51) APPSNCABACE1HDAC1HDAC2
SCHEMBL7714740 0.75 BACE1 (0.67) APPSNCABACE1HDAC1HDAC2
SCHEMBL8801364 0.74 ALDH1A1 (0.52) APPSNCABACE1HDAC1HDAC2
SCHEMBL6179658 0.74 HDAC1 (0.55) APPSNCABACE1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed