SCHEMBL3821891

SCHEMBL3821891

COc1ccc2ccc3c(c2c1)OC(c1ccc(N2CCOCC2)cc1)(c1ccc(N2CCOCC2)cc1)C=C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
APP P05067 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
PRKDC P78527 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5550984 0.81 KDM4E (0.39) MAPTKMT2ASMN1; SMN2POLBTSHR
SCHEMBL24620658 0.78 KDM4E (0.40) MAPTKMT2ASMN1; SMN2POLBTSHR
SCHEMBL5551024 0.78 KMT2A (0.42) MAPTKMT2ASMN1; SMN2POLBTSHR
SCHEMBL5649476 0.77 RAB9A (0.39) MAPTKMT2ASMN1; SMN2MAPK1KDM4E
SCHEMBL10106931 0.77 MAPT (0.39) MAPTKMT2ASMN1; SMN2POLBTSHR
SCHEMBL7938728 0.77 SLC16A3 (0.42) MAPTKMT2ASMN1; SMN2POLBHSD17B10
SCHEMBL1845404 0.76 KMT2A (0.43) MAPTKMT2ASMN1; SMN2MAPK1KDM4E
SCHEMBL24620628 0.76 APP (0.38) MAPTKMT2ASMN1; SMN2POLBTSHR
SCHEMBL7473370 0.76 MAPT (0.41) MAPTKMT2ASMN1; SMN2POLBHSD17B10
SCHEMBL1333712 0.75 MAPT (0.42) MAPTKMT2ASMN1; SMN2POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1707610-B1 Photochromic polymerizable composition TOKUYAMA CORP (JP) 2009-09-09 EP claimed
US-6362248-B1 MIXTURE OF (METH)ACRYLATE MONOMER AND CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2002-03-26 US claimed
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