SCHEMBL29129137

SCHEMBL29129137

CCN(CC)CC.O=C(O)OC=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BCHE P06276 5/20 0.46
ACHE P22303 5/20 0.46
CTDSP1 Q9GZU7 1/20 0.43
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PAM P19021 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 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
SCHEMBL465525 0.86 HDAC1 (0.52) BCHEACHEGLATDP1PAM
SCHEMBL27499907 0.84 HDAC1 (0.50) BCHEACHEGLATDP1PAM
Butadiene SCHEMBL2013592 0.79 HDAC1 (0.45) BCHEACHEGLATDP1PAM
SCHEMBL1397184 0.77 NPC1 (0.46) NPC1L3MBTL1CTDSP1GLATDP1
SCHEMBL11817417 0.77 NPC1 (0.46) NPC1L3MBTL1CTDSP1GLATDP1
SCHEMBL9757616 0.76 NPC1 (0.45) NPC1L3MBTL1CTDSP1GLATDP1
SCHEMBL3928789 0.75 MEN1 (0.45) NPC1L3MBTL1CTDSP1GLATDP1
SCHEMBL3239706 0.75 NPC1 (0.44) NPC1L3MBTL1CTDSP1GLATDP1
SCHEMBL7541866 0.75 MEN1 (0.53) NPC1L3MBTL1CTDSP1GLATDP1
Cinnamic Acid SCHEMBL28228133 0.75 HCAR2 (0.66) NPC1L3MBTL1BCHEACHEGLA

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
CN-117279636-A Methods and compounds for modulating myotonic muscular dystrophy type 1 设计治疗公司 2023-12-22 CN disclosed