SCHEMBL13699231

SCHEMBL13699231

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.49
MMP8 P22894 1/20 0.47
PIN1 Q13526 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL13699367 1.00 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL9531044 0.86 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL13699307 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL13699379 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL614649 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL991355 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL820513 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL10438193 0.83 L3MBTL1 (0.50) SMN1; SMN2MAPTMMP8L3MBTL1MEN1
SCHEMBL18065697 0.81 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL935980 0.81 TDP1 (0.59) SMN1; SMN2MAPTMMP8PIN1L3MBTL1

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