SCHEMBL7901531

SCHEMBL7901531

Cc1ccccc1S(=O)(=O)OCCCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
ALDH1A1 P00352 2/20 0.38
PDK2 Q15119 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
GBA1 P04062 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
JAK2 O60674 2/20 0.33
S1PR4 O95977 2/20 0.33
HPGD P15428 2/20 0.33
XBP1 P17861 2/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL3868294 0.82 F2 (0.39) METAP2L3MBTL1ALDH1A1PDK2CYP2C9
SCHEMBL4017240 0.81 L3MBTL1 (0.38) METAP2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL25937570 0.81 L3MBTL1 (0.38) METAP2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL25937387 0.81 L3MBTL1 (0.38) METAP2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL30075379 0.81 L3MBTL1 (0.38) METAP2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL10641249 0.78 F2 (0.39) METAP2ALDH1A1PDK2TRPV4MEN1
SCHEMBL22164325 0.77 CA14 (0.34) METAP2L3MBTL1PDK2
SCHEMBL8130163 0.76 KDM4E (0.47) METAP2L3MBTL1ALDH1A1PDK2TRPV4
SCHEMBL7619544 0.76 KMT2A (0.43) L3MBTL1ALDH1A1LMNAPOLBCYP1A2
SCHEMBL27097012 0.75 TLR2 (0.36) L3MBTL1POLBCYP1A2CYP2C9CYP2C19

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
US-6172045-B1 COMPLEX CONTAINING 1-DESOXY-1-THIO-N-ACETYLGALACTOSAMINE NEORX CORPORATION 2001-01-09 US disclosed