SCHEMBL7634146

SCHEMBL7634146

Cc1cccc(C(=O)OO[C]2CC(C)CCC2C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
SLC6A2 P23975 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRND Q07001 1/20 0.41
RAB9A P51151 5/20 0.40
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 5/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADRB2 P07550 1/20 0.37

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
SCHEMBL7635693 0.88 MEN1 (0.41) RAB9AL3MBTL1NPC1ALDH1A1NPSR1
SCHEMBL7629368 0.87 NPC1 (0.47) CHRNB2CHRNA4L3MBTL1NPC1ALDH1A1
SCHEMBL7625857 0.86 MAPT (0.41) MAPTL3MBTL1NPC1HDAC8
SCHEMBL7627937 0.86 CHRNA1 (0.45) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7632722 0.85 NPC1 (0.41) RAB9AMAPTL3MBTL1NPC1ALDH1A1
SCHEMBL7636551 0.85 SCN1A (0.40) SLC6A2SLC6A3RAB9AMAPTL3MBTL1
SCHEMBL7634307 0.85 ALDH1A1 (0.43) RAB9AMAPTL3MBTL1NPC1ALDH1A1
SCHEMBL7630798 0.84 RAB9A (0.43) RAB9AMAPTL3MBTL1NPC1ALDH1A1
SCHEMBL7625118 0.82 NPC1 (0.34) L3MBTL1NPC1ALDH1A1LMNA
SCHEMBL7631523 0.81 NPC1 (0.35) RAB9AMAPTL3MBTL1NPC1ALDH1A1

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
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed