SCHEMBL872596

SCHEMBL872596

CC(C)(CN1CCOCC1)SC(C)(C)CN1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.38
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 4/20 0.35
KEAP1 Q14145 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGLL Q99685 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
CYP2A13 Q16696 1/20 0.32
GLA P06280 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
SCHEMBL22020962 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL10080570 0.81 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL179555 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL8261443 0.78 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL10153213 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL4967922 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL28819145 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL17310700 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL862113 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL20623013 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RECQLUSP2GAA

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-2012040318-A2 COMPOSITIONS, METHODS AND KITS FOR DETECTING MELANOMA AND MARGINS OF MELANOMA UNIVERSITY OF MIAMI (US) 2012-03-29 WO claimed
WO-2012040318-A2 COMPOSITIONS, METHODS AND KITS FOR DETECTING MELANOMA AND MARGINS OF MELANOMA UNIVERSITY OF MIAMI (US) 2012-03-29 WO disclosed