SCHEMBL84110

SCHEMBL84110

CC(C)c1cccc2c(=O)c3ccccc3sc12.CCCOc1ccc(Cl)c2c(=O)c3ccccc3sc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPC1 O15118 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GAA P10253 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
RARA P10276 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL29428465 0.89 MAPT (0.43) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL29353913 0.89 MAPT (0.43) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL108341 0.89 MAPT (0.43) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL7769308 0.85 KDM4E (0.40) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL28557156 0.83 MAPT (0.42) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL4330332 0.82 KDM4E (0.55) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL14556883 0.82 MAPT (0.45) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL13737882 0.81 MAPT (0.48) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL8065203 0.81 POLB (0.42) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL1615173 0.81 CYP2C9 (0.41) MAPTCYP1A2CYP3A4CYP2C19NPC1

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
JP-4723379-B2 2011-07-13 JP claimed
JP-2007515377-A 2007-06-14 JP claimed
EP-1660019-A1 POLYMERIZABLE DENTAL COMPOSITION HAVING A HIGH CONTENT OF LOADING MATERIAL Rhodia Chimie (FR) 2006-05-31 EP claimed
WO-2005027857-A1 POLYMERIZABLE DENTAL COMPOSITION HAVING A HIGH CONTENT OF LOADING MATERIAL RHODIA CHIMIE (FR) 2005-03-31 WO claimed