SCHEMBL5098645

SCHEMBL5098645

CCOc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.54
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
LTA4H P09960 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RELA Q04206 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL30662422 0.87 SMN1; SMN2 (0.57) TTKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9550766 0.85 MAPT (0.46) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL15200921 0.83 NQO1 (0.58) KDM4EALDH1A1HPGDLTA4HTP53
SCHEMBL29042705 0.83 ESR1 (0.58) TTKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16408380 0.82 SMN1; SMN2 (0.43) TTKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16408323 0.82 TTK (0.45) TTKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9550755 0.81 CYP1A2 (0.46) KDM4EALDH1A1HPGDLTA4HTP53
SCHEMBL428140 0.81 MAPT (0.44) KDM4EALDH1A1HPGDLTA4HTP53
SCHEMBL30459370 0.81 MAPT (0.44) KDM4EALDH1A1HPGDLTA4HTP53
SCHEMBL9550765 0.81 MEN1 (0.43) KDM4EALDH1A1HPGDLTA4HTP53

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-7405308-B2 Thianthrenium salt cationic photoinitiators RENSSELAER POLYTECHNIC INSTITUE (US) 2008-07-29 US disclosed
US-20050064333-A1 Thianthrenium salt cationic photoinitiators RENSSELAER POLYTECHNIC INSTITUTE (US) 2005-03-24 US disclosed
EP-1504306-A1 PHOTOPOLYMERIZABLE COMPOSITIONS COMPRISING THIANTHRENIUM SALTS AS CATIONIC PHOTOINITIATORS RENSSELAER POLYTECHNIC INSTITUTE (US) 2005-02-09 EP disclosed
WO-2003098347-A1 PHOTOPOLYMERIZABLE COMPOSITIONS COMPRISING THIANTHRENIUM SALT CATIONIC PHOTOINITIATORS RENSSELAER POLYTECHNIC INSTITUTE (US) 2003-11-27 WO disclosed