SCHEMBL13699307

SCHEMBL13699307

CCOC(=O)[C@@H](Br)[C@@H](O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.47
MMP8 P22894 1/20 0.44
PIN1 Q13526 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL13699379 1.00 SMN1; SMN2 (0.51) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL13699231 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL13699367 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL10523780 0.83 SMN1; SMN2 (0.55) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL305973 0.83 SMN1; SMN2 (0.55) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL614649 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL27492502 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL991355 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL820513 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL2849834 0.80 CNR2 (0.45) SMN1; SMN2PPARGPPARAMEN1KMT2A

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
US-7582797-B2 Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfonates) and compositions comprising the same INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-09-01 US disclosed
US-7582797-B2 Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfonates) and compositions comprising the same INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-09-01 US disclosed