SCHEMBL7687112

SCHEMBL7687112

Cc1[c]c(C)cc(C(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
MT-CO2 P00403 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7219957 0.80 MT-CO2 (0.45) KMT2AMT-CO2L3MBTL1
SCHEMBL7690032 0.79 L3MBTL1 (0.47) LMNAMT-CO2L3MBTL1
SCHEMBL5215244 0.75 APP (0.49) APPLMNAKMT2A
SCHEMBL7678302 0.73 MAPT (0.38) MAPTL3MBTL1
SCHEMBL5213655 0.73 APP (0.48) APPLMNAMAPTMAPK1
SCHEMBL2289610 0.73 APP (0.47) APPKMT2AALDH1A1MAPTL3MBTL1
SCHEMBL16782694 0.73 APP (0.47) APPKMT2AALDH1A1MAPTL3MBTL1
SCHEMBL27463423 0.72 APP (0.50) APPMT-CO2L3MBTL1
SCHEMBL29098475 0.71 APP (0.40) APPLMNAKMT2AALDH1A1MAPT
SCHEMBL8850119 0.71 APP (0.49) APPLMNAKMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495681-B1 PRODUCING LOCAL ANESTHESIA OF LONG-DURATION. THE COMPOUNDS OF THIS INVENTION ARE MULTIBINDING COMPOUNDS THAT COMPRISE FROM 2 TO 10 LIGANDS COVALENTLY ATTACHED TO A LINKER OR LINKERS, EACH LIGAND BEING CAPABLE OF BINDING TO A LIGAND BINDING SITE THERAVANCE INC. 2002-12-17 US claimed
US-6337423-B1 BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY ADVANCED MEDICINE, INC. 2002-01-08 US claimed
US-6495681-B1 PRODUCING LOCAL ANESTHESIA OF LONG-DURATION. THE COMPOUNDS OF THIS INVENTION ARE MULTIBINDING COMPOUNDS THAT COMPRISE FROM 2 TO 10 LIGANDS COVALENTLY ATTACHED TO A LINKER OR LINKERS, EACH LIGAND BEING CAPABLE OF BINDING TO A LIGAND BINDING SITE THERAVANCE INC. 2002-12-17 US disclosed
US-6337423-B1 BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY ADVANCED MEDICINE, INC. 2002-01-08 US disclosed