SCHEMBL12468609

SCHEMBL12468609

CCCCOC(=O)N1CC[C@H]([C@H](O)CCO)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MMP13 P45452 3/20 0.38
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
GBA2 Q9HCG7 1/20 0.38
PDE4B Q07343 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
ALDH1A1 P00352 3/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL12468859 1.00 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBMMP13MMP3
SCHEMBL27830884 0.82 LMNA (0.51) SMN1; SMN2LMNAPOLBMMP13MMP3
SCHEMBL15974247 0.81 LMNA (0.49) SMN1; SMN2LMNAPOLBMMP13MMP3
SCHEMBL29850834 0.81 LMNA (0.56) SMN1; SMN2LMNAPOLBMMP13MMP3
SCHEMBL2361594 0.81 LMNA (0.49) SMN1; SMN2LMNAPOLBMMP13MMP3
SCHEMBL9666136 0.80 SMN1; SMN2 (0.46) SMN1; SMN2LMNAPOLBMMP13MMP3
SCHEMBL30543794 0.80 LMNA (0.48) SMN1; SMN2LMNAPOLBMMP13MMP3
SCHEMBL12469109 0.79 ALDH1A1 (0.47) SMN1; SMN2LMNAPOLBMMP13MMP3
SCHEMBL29429485 0.78 LMNA (0.47) SMN1; SMN2LMNAPOLBMMP13MMP3
SCHEMBL1280145 0.78 NR1H2 (0.44) HPGDALDH1A1PRMT5WDR77

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
EP-2627630-A1 SEROTONIN REUPTAKE INHIBITORS Theravance, Inc. (US) 2013-08-21 EP disclosed
WO-2012051103-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-04-19 WO disclosed