SCHEMBL9735646

SCHEMBL9735646

CN(CC(O)c1ccccc1)C(=O)C=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AOC3 Q16853 2/20 0.49
TRPM8 Q7Z2W7 4/20 0.47
CYP1A2 P05177 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
GLA P06280 1/20 0.45
ALDH1A1 P00352 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 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
SCHEMBL11965213 0.83 NPC1 (0.57) NPC1L3MBTL1TRPM8CYP1A2TDP1
SCHEMBL12693652 0.78 NPC1 (0.72) NPC1L3MBTL1TRPM8CYP1A2TDP1
SCHEMBL4583626 0.77 AOC3 (0.61) AOC3TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2093623 0.77 AOC3 (0.61) NPC1L3MBTL1AOC3TDP1ALDH1A1
SCHEMBL14393835 0.77 AOC3 (0.61) NPC1L3MBTL1AOC3TDP1ALDH1A1
SCHEMBL16901650 0.77 AOC3 (0.61) NPC1L3MBTL1AOC3TDP1ALDH1A1
SCHEMBL7748541 0.77 NPC1 (0.57) NPC1L3MBTL1TRPM8CYP1A2TDP1
SCHEMBL7748543 0.77 NPC1 (0.57) NPC1L3MBTL1TRPM8CYP1A2TDP1
SCHEMBL10575087 0.76 NPC1 (0.60) NPC1L3MBTL1TRPM8CYP1A2TDP1
SCHEMBL10575096 0.76 NPC1 (0.60) NPC1L3MBTL1TRPM8CYP1A2TDP1

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-5132433-A PROCESS FOR THE PREPARATION OF CLAUSENAMIDE AND NEOCLAUSENAMIDE, AND DERIVATIVES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 1992-07-21 US disclosed