SCHEMBL3142398

SCHEMBL3142398

CCO[Si](CCCOC1CCC(N2C(=O)c3ccccc3C2=O)CC1)(OCC)OCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
BRD4 O60885 1/20 0.33
MAPK7 Q13164 1/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL1966734 0.87 ALDH1A1 (0.40) L3MBTL1ALDH1A1MAPK1TSHRLMNA
SCHEMBL20337367 0.85 L3MBTL1 (0.53) L3MBTL1ALDH1A1MAPK1TSHRLMNA
SCHEMBL600925 0.82 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPK1TSHRLMNA
SCHEMBL600924 0.82 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPK1TSHRLMNA
SCHEMBL601652 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPK1TSHRLMNA
SCHEMBL8069723 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPK1TSHRLMNA
SCHEMBL601653 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPK1TSHRLMNA
SCHEMBL3038067 0.78 L3MBTL1 (0.51) L3MBTL1ALDH1A1MAPK1TSHRLMNA
SCHEMBL3038064 0.78 L3MBTL1 (0.51) L3MBTL1ALDH1A1MAPK1TSHRLMNA
SCHEMBL29191821 0.76 EPHX2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010029274-A2 NOVEL CHROMOPHORES, METHOD FOR THE PREPARATION THEREOF, AND USE OF SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2010-03-18 WO disclosed
WO-2010029273-A1 METHOD OF PHOTOCHEMICAL HYDROLYSIS-POLYCONDENSATION OF CROSS-LINKABLE CHROMOPHORES WITH STERIC HINDRANCE, CATALYSED BY A PHOTOGENERATED ACID, AND THE APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2010-03-18 WO disclosed