SCHEMBL15434647

SCHEMBL15434647

CC(C)(CCN1CCOCC1)C(=O)OCCN=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL16940028 0.85 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1TDP1OPRM1
SCHEMBL15434663 0.85 ALDH1A1 (0.48) SMN1; SMN2KMT2AMEN1TDP1OPRM1
SCHEMBL21147462 0.83 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1TDP1OPRM1
SCHEMBL19686996 0.83 TDP1 (0.49) SMN1; SMN2KMT2AMEN1TDP1OPRM1
SCHEMBL19407910 0.82 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1TDP1OPRM1
SCHEMBL15434556 0.82 ALDH1A1 (0.52) SMN1; SMN2KMT2AMEN1OPRM1OPRD1
SCHEMBL12463688 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1OPRM1OPRD1
SCHEMBL15434630 0.81 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1TDP1OPRM1
SCHEMBL25056681 0.80 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1TDP1OPRM1
SCHEMBL16940044 0.80 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1TDP1OPRM1

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
WO-2014012081-A2 CHIRAL CONTROL ONTORII, INC. (US) 2014-01-16 WO disclosed