SCHEMBL8474657

SCHEMBL8474657

CCN(C)CC(O)CCN(C)C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
MAPT P10636 1/20 0.31
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8476530 0.82 L3MBTL1 (0.42) MAPTHTR2AHRH1L3MBTL1
SCHEMBL18159896 0.81 LMNA (0.30) L3MBTL1
SCHEMBL8475008 0.80 MAPT (0.36) CA12CA2CA3CA4CA6
SCHEMBL8476531 0.80 KDM4E (0.47) CA12CA2CA3CA4CA6
SCHEMBL15509645 0.80 KDM4E (0.35) KDM4EL3MBTL1
SCHEMBL11289109 0.79 THRB (0.42) KDM4EL3MBTL1
SCHEMBL19044278 0.77
SCHEMBL2452569 0.77 MAPT (0.42) CA12CA2CA3CA4CA6
SCHEMBL7582522 0.76
SCHEMBL4712809 0.75

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
WO-2012071102-A2 BUFFER COMPOUNDS SACHEM, INC. (US) 2012-05-31 WO disclosed
US-20120129240-A1 BUFFER COMPOUNDS SACHEM, INC. 2012-05-24 US disclosed