SCHEMBL27704232

SCHEMBL27704232

OCCNc1ccccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
GLA P06280 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
ADRA2C P18825 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
MAOA P21397 1/20 0.45
ADRA1D P25100 1/20 0.45
MAOB P27338 1/20 0.45
ADRA1A P35348 1/20 0.45
TOP2B Q02880 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL15517701 0.88 ALDH1A1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2FABP3
Hydrochloric Acid SCHEMBL28052967 0.86 ALDH1A1 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2FABP3
SCHEMBL31756005 0.85 QPCT (0.53) KDM4EALDH1A1HPGDGLATOP2B
SCHEMBL20522389 0.85 QPCT (0.53) KDM4EALDH1A1HPGDGLATOP2B
SCHEMBL11957892 0.83 ALDH1A1 (0.57) KDM4EALDH1A1HPGDSMN1; SMN2FABP3
SCHEMBL8065387 0.82 MEN1 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2FABP3
SCHEMBL6156472 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDGLATOP2B
SCHEMBL12984545 0.82 SMN1; SMN2 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2ADRA2C
SCHEMBL12984564 0.79 SOAT1 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6570922 0.78 PTGDR2 (0.44) KDM4EALDH1A1HPGDGLAMAOA

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
CN-103687723-B polymer compositions and methods 诺沃梅尔公司 2016-10-19 CN disclosed
CN-103687723-A Polymer compositions and methods NOVOMER INC 2014-03-26 CN disclosed
CN-101384958-A Cationic compositions and methods of making and using the same DSM IP ASSETS BV (NL) 2009-03-11 CN disclosed
CN-101178539-A Photo-curable resin composition DSM IP ASSETS BV (NL) 2008-05-14 CN disclosed