SCHEMBL3829545

SCHEMBL3829545

C1=CC(c2ccc(N3CCOCC3)cc2)(c2ccco2)Oc2ccc3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
PTK2B Q14289 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
PLK4 O00444 1/20 0.35
CYP1A1 P04798 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
SCHEMBL7479031 0.88 SMN1; SMN2 (0.43) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL3823227 0.85 SMN1; SMN2 (0.39) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL8921625 0.83 KDM4E (0.43) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL2599693 0.83 SMN1; SMN2 (0.37) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL7473370 0.83 MAPT (0.41) SMN1; SMN2HTTKDM4EMAPTRAB9A
SCHEMBL24620639 0.82 SMN1; SMN2 (0.42) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL24620629 0.82 SMN1; SMN2 (0.42) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL7826214 0.80 KDM4E (0.41) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL4670962 0.78 PRKDC (0.39) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL4670960 0.77 PRKDC (0.39) SMN1; SMN2HTTKDM4EMAPTNPC1

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
EP-1707610-B1 Photochromic polymerizable composition TOKUYAMA CORP (JP) 2009-09-09 EP disclosed
EP-1707610-A2 Photochromic polymerizable composition Tokuyama Corporation (JP) 2006-10-04 EP disclosed
US-6362248-B1 MIXTURE OF (METH)ACRYLATE MONOMER AND CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2002-03-26 US disclosed
EP-0984053-A1 PHOTOCHROMIC POLYMERIZABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2000-03-08 EP disclosed