SCHEMBL9596540

SCHEMBL9596540

CCCCOC(=O)N1CC(O)C(SC)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GBA2 Q9HCG7 1/20 0.43
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
BCHE P06276 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ECE1 P42892 1/20 0.33
GBA1 P04062 2/20 0.33
GAA P10253 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL18498621 0.86 LMNA (0.56) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL9596873 0.83 LMNA (0.44) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL9596636 0.82 LMNA (0.43) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL6420027 0.81 LMNA (0.46) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL1633241 0.79 LMNA (0.56) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL1542778 0.79 LMNA (0.49) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL14034308 0.78 LMNA (0.48) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL14034326 0.78 LMNA (0.48) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL20605787 0.77 SMN1; SMN2 (0.47) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL20912047 0.76 POLB (0.56) LMNAPOLBSMN1; SMN2GBA2ALDH1A1

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-1993003026-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1993-02-18 WO disclosed