SCHEMBL4639701

SCHEMBL4639701

CCc1c(OC)cc2cc3ccccc3cc2c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
MAPT P10636 2/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PTGS2 P35354 1/20 0.38
RAC1 P63000 2/20 0.38
PDE10A Q9Y233 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TLR8 Q9NR97 1/20 0.36
MAPK1 P28482 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35

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
SCHEMBL7092218 0.87 NQO1 (0.50) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL28859156 0.84 NQO1 (0.42) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL19019819 0.79 TLR8 (0.42) NQO1MAPTKDM4EALDH1A1PDE10A
SCHEMBL2876970 0.77 NQO1 (0.44) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL11893005 0.77 PTGES (0.46) NQO1MAPTKDM4EALDH1A1PTGS2
SCHEMBL9483707 0.76 NQO1 (0.47) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL16267147 0.74 CYP2A6 (0.46) NQO1MAPTKDM4EALDH1A1NPC1
SCHEMBL3631528 0.74 NQO1 (0.64) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL29485688 0.74 NQO1 (0.64) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL7889092 0.73 NQO1 (0.53) NQO1MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102026967-B Sulphonium salt initiators CIBA HOLDING INC 2013-09-18 CN disclosed
CN-102026967-A Sulphonium salt initiators CIBA HOLDING INC 2011-04-20 CN disclosed
CN-101952269-A Sulphonium salt initiators BASF SE 2011-01-19 CN disclosed
CN-101952248-A Sulphonium salt initiators BASF SE 2011-01-19 CN disclosed
CN-100430385-C Compound for improving storage stability of photoinitiator and application thereof CIBA SC HOLDING AG (CH) 2008-11-05 CN disclosed
EP-1951834-A1 CONCURRENTLY CURABLE HYBRID ADHESIVE COMPOSITION 3M Innovative Properties Company (US) 2008-08-06 EP disclosed
CN-101213169-A Sulphonium salt initiators CIBA SC HOLDING AG (CH) 2008-07-02 CN disclosed
WO-2007050404-A1 CONCURRENTLY CURABLE HYBRID ADHESIVE COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-03 WO disclosed
CN-1708488-A Improvement of storage stability of photoinitiators CIBA SC HOLDING AG (CH) 2005-12-14 CN disclosed