SCHEMBL13699314

SCHEMBL13699314

CCOC(=O)C1N[C@H]1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
ALOX5 P09917 1/20 0.45
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8296855 1.00 L3MBTL1 (0.46) L3MBTL1ATMTDP1ALOX5TSHR
SCHEMBL13699389 1.00 L3MBTL1 (0.46) L3MBTL1ATMTDP1ALOX5TSHR
SCHEMBL8297217 1.00 L3MBTL1 (0.46) L3MBTL1ATMTDP1ALOX5TSHR
SCHEMBL25894404 1.00 L3MBTL1 (0.46) L3MBTL1ATMTDP1ALOX5TSHR
SCHEMBL13513384 1.00 L3MBTL1 (0.46) L3MBTL1ATMTDP1ALOX5TSHR
SCHEMBL25894118 0.88 ALDH1A1 (0.42) L3MBTL1ATMALDH1A1SMN1; SMN2MAPT
SCHEMBL25894165 0.86 CYP4F2 (0.40) L3MBTL1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL25894409 0.86 MEN1 (0.44) ALOX5TSHRALDH1A1MAPTMEN1
SCHEMBL25894441 0.86 CYP4F2 (0.40) L3MBTL1ATMTDP1ALDH1A1SMN1; SMN2
SCHEMBL25894343 0.85 KMT2A (0.50) L3MBTL1ALOX5TSHRALDH1A1SMN1; SMN2

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