SCHEMBL9989166

SCHEMBL9989166

CCCCOC(=O)N1C[CH]CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
BCHE P06276 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 3/20 0.37

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
SCHEMBL856186 0.90 SMN1; SMN2 (0.55) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL3950479 0.90 SMN1; SMN2 (0.41) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL11120122 0.86 LMNA (0.50) SMN1; SMN2LMNAPOLBALDH1A1HRH2
SCHEMBL1069568 0.85 TSHR (0.46) SMN1; SMN2LMNAPOLBALDH1A1KMT2A
SCHEMBL1515381 0.83 LMNA (0.57) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL1859157 0.81 SMN1; SMN2 (0.69) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL3634052 0.81 SMN1; SMN2 (0.69) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL574934 0.80 SMN1; SMN2 (0.63) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL1713612 0.80 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL7838421 0.80 SMN1; SMN2 (0.67) SMN1; SMN2LMNAPOLBALDH1A1HPGD

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
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed