SCHEMBL6519214

SCHEMBL6519214

Cc1cccc(CCCCN(C)C(=O)OC(C)(C)C)c1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.39
TRPV4 Q9HBA0 1/20 0.36
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
GLS O94925 1/20 0.34
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDK2 Q15119 1/20 0.33
LMNA P02545 2/20 0.33
GBA1 P04062 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NQO2 P16083 1/20 0.31
MEN1 O00255 1/20 0.31
JAK2 O60674 1/20 0.31
S1PR4 O95977 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
XBP1 P17861 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
SCHEMBL6510612 0.83 ACHE (0.36) BCHEACHEALDH1A1HPGDALOX15
SCHEMBL6519209 0.81 METAP2 (0.37) METAP2TRPV4BCHEACHEGLS
SCHEMBL2587709 0.79 CA1 (0.47) TSHRNQO2NPSR1
SCHEMBL29059938 0.79 METAP2 (0.35) METAP2TRPV4GLSL3MBTL1PDK2
SCHEMBL4393441 0.75 TAAR1 (0.46) METAP2TRPV4BCHEACHEGLS
SCHEMBL27843125 0.74 BID (0.44) ALOX15HSD17B10
SCHEMBL7901531 0.73 METAP2 (0.42) METAP2TRPV4BCHEACHEL3MBTL1
SCHEMBL11378071 0.73 PTGER4 (0.34) ALDH1A1TP53
SCHEMBL8367732 0.73 BID (0.47) ALOX15S1PR1HSD17B10
SCHEMBL11182029 0.73 BID (0.47) ALOX15S1PR1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908903-B1 Cluster clearing agents ALETHEON PHARMACEUTICALS, INC. (US) 2005-06-21 US disclosed
US-6172045-B1 COMPLEX CONTAINING 1-DESOXY-1-THIO-N-ACETYLGALACTOSAMINE NEORX CORPORATION 2001-01-09 US disclosed
WO-1997046098-A9 CLUSTER CLEARING AGENTS 1998-08-06 WO disclosed