SCHEMBL673022

SCHEMBL673022

CCN(CC)C(=CCN)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 4/20 0.39
SLC6A2 P23975 4/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2C P28335 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL674663 0.82 ALDH1A1 (0.40) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL8859065 0.80 ALDH1A1 (0.47) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL673965 0.80 ALDH1A1 (0.43) ALDH1A1MAPTKMT2A
SCHEMBL17955311 0.79 ALDH1A1 (0.50) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL12411256 0.79 ALDH1A1 (0.50) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL8553854 0.77 ALDH1A1 (0.41) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL8553851 0.77 ALDH1A1 (0.41) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL12411252 0.74 NPC1 (0.49) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL11206642 0.74 NPC1 (0.49) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL8088256 0.73 ALDH1A1 (0.44) ALDH1A1HPGDMAPTNPC1L3MBTL1

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-1873168-B1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORP (JP) 2012-12-12 EP disclosed
US-7968652-B2 Modified conjugated diene copolymer, rubber compositions and tires BRIDGESTONE CORPORATION (JP) 2011-06-28 US disclosed
US-20090292043-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORPORATION (JP) 2009-11-26 US disclosed
EP-1873168-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES Bridgestone Corporation (JP) 2008-01-02 EP disclosed