SCHEMBL4376366

SCHEMBL4376366

CCCOc1ccc(-c2ccccc2)c2c(=O)c3ccccc3sc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPC1 O15118 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.38
CHRM2 P08172 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
TBXA2R P21731 2/20 0.38
SLC6A2 P23975 2/20 0.38
APEX1 P27695 2/20 0.38
SLC6A4 P31645 2/20 0.38
ADRA1A P35348 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38

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
SCHEMBL18202638 0.85 MAPT (0.46) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL25768555 0.84 MAPT (0.44) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL1614172 0.83 MAPT (0.43) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL1615138 0.83 MAPT (0.43) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL108341 0.83 MAPT (0.43) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL29428465 0.83 MAPT (0.43) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL29785792 0.83 MAPT (0.43) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL29353913 0.83 MAPT (0.43) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL2296048 0.81 MAPT (0.39) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL23226923 0.80 CNR1 (0.44) MAPTCYP1A2CYP3A4RAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745083-B1 HIGHLY-CHARGED STABLE DENTAL COMPOSITION WHICH MAY BE CROSS-LINKED/POLYMERISED BY CATIONIC REACTION BLUESTAR SILICONES FRANCE (FR) 2009-12-16 EP claimed
EP-1745083-B1 HIGHLY-CHARGED STABLE DENTAL COMPOSITION WHICH MAY BE CROSS-LINKED/POLYMERISED BY CATIONIC REACTION BLUESTAR SILICONES FRANCE (FR) 2009-12-16 EP disclosed
EP-2043588-B1 DENTAL COMPOSITION CROSSLINKABLE/POLYMERIZABLE BY CATIONIC PROCESS BLUESTAR SILICONES FRANCE (FR) 2009-11-18 EP disclosed