SCHEMBL8475008

SCHEMBL8475008

CN(C)CCC(O)CN(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
DNM1 Q05193 5/20 0.34
HIF1A Q16665 2/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
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

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
SCHEMBL2452569 0.85 MAPT (0.42) MAPTHTR2AHRH1DNM1ALDH1A1
SCHEMBL17261304 0.85 HIF1A (0.38) MAPTHTR2AHRH1DNM1HIF1A
SCHEMBL27317562 0.81
SCHEMBL8476530 0.80 L3MBTL1 (0.42) MAPTHTR2AHRH1LMNATSHR
SCHEMBL8474657 0.80 CA12 (0.32) MAPTHTR2AHRH1CA12CA2
SCHEMBL18050404 0.80 DNM1 (0.35) MAPTDNM1HIF1ALMNASMN1; SMN2
SCHEMBL17261305 0.80 L3MBTL1 (0.36) MAPTDNM1HIF1ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL27482491 0.79 CA1 (0.36) MAPTHTR2AHRH1LMNAALDH1A1
SCHEMBL8474662 0.79 MAPT (0.46) MAPTLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL8476531 0.79 KDM4E (0.47) MAPTCA12CA2CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129240-A1 BUFFER COMPOUNDS SACHEM, INC. 2012-05-24 US disclosed