SCHEMBL4049950

SCHEMBL4049950

CC(=O)OCCOc1ccc(-c2nc(-c3ccc(Cl)cc3)nc(-c3ccc(OCCOC(C)=O)cc3O)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccc(O)cc3O)nc(-c3ccc(O)cc3O)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
KMT2A Q03164 8/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 6/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 3/20 0.36
GPR55 Q9Y2T6 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL580703 0.89 SIRT2 (0.48) SIRT2KMT2AATMMEN1KDM4E
SCHEMBL29357152 0.89 SIRT2 (0.48) SIRT2KMT2AATMMEN1KDM4E
SCHEMBL12652439 0.86 PDE3B (0.45) ATMALDH1A1PDE3BPDE3AP2RY12
SCHEMBL8383100 0.82 SIRT2 (0.46) SIRT2KMT2AATMMEN1PDE3B
SCHEMBL7125661 0.79 L3MBTL1 (0.38) KMT2AMEN1ALDH1A1KDM4ENPY1R
SCHEMBL15599733 0.79 PDE3B (0.44) KMT2AMEN1KDM4EPDE3BPDE3A
SCHEMBL294861 0.79 PDE3B (0.46) KMT2AMEN1KDM4EPDE3BPDE3A
SCHEMBL4825877 0.79 PDE3B (0.46) KMT2AMEN1KDM4EPDE3BPDE3A
SCHEMBL8383168 0.78 HTT (0.43) KMT2AMEN1ALDH1A1KDM4EPDE3B
SCHEMBL30887231 0.78 HTT (0.43) KMT2AMEN1ALDH1A1KDM4EPDE3B

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
US-7550599-B2 Water compatible sterically hindered alkoxyamines and hydroxy substituted alkoxyamines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-06-23 US disclosed
US-6585989-B2 For use in plastic films, fibers and articles to provide antimicrobial activity, resistance to discoloration, may be processed at high temperature, and maintain physical properties upon weathering CIBA SPECIALTY CHEMICALS CORPORATION 2003-07-01 US disclosed