SCHEMBL11657015

SCHEMBL11657015

COCCCCC(=O)c1ccc(SC)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HAO1 Q9UJM8 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
PDE4B Q07343 1/20 0.44
HSD17B3 P37058 6/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC1 Q13547 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL11650221 0.91 PLK1 (0.41) PLK1ALDH1A1HAO1L3MBTL1PDE4B
Ethylene SCHEMBL11651022 0.89 HAO1 (0.40) PLK1ALDH1A1HAO1L3MBTL1PDE4B
SCHEMBL7196791 0.86 L3MBTL1 (0.55) PLK1HAO1L3MBTL1HSD17B3MMP2
SCHEMBL457406 0.83 PLK1 (0.45) PLK1ALDH1A1HAO1L3MBTL1MMP2
Ethylene SCHEMBL11649493 0.82 NPC1 (0.45) HAO1L3MBTL1HSD17B3MMP2MMP9
SCHEMBL17831000 0.81 KMT2A (0.55) ALDH1A1L3MBTL1PDE4BHSD17B3HDAC8
SCHEMBL20243167 0.81 L3MBTL1 (0.55) ALDH1A1L3MBTL1PDE4BHSD17B3HDAC8
SCHEMBL6138941 0.80 HAO1 (0.44) PLK1ALDH1A1HAO1L3MBTL1PDE4B
SCHEMBL6138736 0.80 HAO1 (0.56) PLK1HAO1L3MBTL1PDE4BHSD17B3
SCHEMBL11656990 0.80 HAO1 (0.47) PLK1HAO1L3MBTL1HSD17B3MMP2

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
US-4081551-A OXIME ETHERS HAVING ANTI-DEPRESSIVE ACTIVITY U.S. PHILIPS CORPORATION (US) 1978-03-28 US disclosed