SCHEMBL6462736

SCHEMBL6462736

CC(C)(O)C(SC(c1ccccc1)C(C)(C)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
RIPK1 Q13546 2/20 0.39
ALDH1A1 P00352 1/20 0.39
AOC3 Q16853 3/20 0.38
LMNA P02545 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MEN1 O00255 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6464611 0.77 TSHR (0.39) SLC6A4SLC6A2SLC6A3RIPK1ALDH1A1
SCHEMBL16210936 0.73 RIPK1 (0.43) SLC6A4SLC6A2SLC6A3RIPK1ALDH1A1
SCHEMBL29732720 0.73 RIPK1 (0.43) SLC6A4SLC6A2SLC6A3RIPK1ALDH1A1
Hydrochloric Acid SCHEMBL57497 0.73 ALDH1A1 (0.48) SLC6A4SLC6A2SLC6A3RIPK1ALDH1A1
Hydrochloric Acid SCHEMBL56184 0.73 ALDH1A1 (0.48) SLC6A4SLC6A2SLC6A3RIPK1ALDH1A1
Hydrochloric Acid SCHEMBL27730332 0.73 ALDH1A1 (0.48) SLC6A4SLC6A2SLC6A3RIPK1ALDH1A1
SCHEMBL16015530 0.71 AOC3 (0.55) SLC6A4SLC6A2SLC6A3RIPK1ALDH1A1
SCHEMBL1471159 0.71 SLC6A4 (0.45) SLC6A4SLC6A3RIPK1ALDH1A1AOC3
SCHEMBL12574668 0.71 SLC6A4 (0.45) SLC6A4SLC6A3RIPK1ALDH1A1AOC3
SCHEMBL2364517 0.71 AOC3 (0.55) SLC6A4SLC6A2SLC6A3RIPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042676-A1 Characterising polypeptides ELECTROPHORETICS LIMITED (GB) 2005-02-24 US disclosed
EP-1397505-A2 CHARACTERISING POLYPEPTIDES Xzillion GmbH & CO.KG (DE) 2004-03-17 EP disclosed
EP-1267170-A1 Method for characterising polypeptides Xzillion GmbH & CO.KG (DE) 2002-12-18 EP disclosed
WO-2002099124-A2 CHARACTERISING POLYPEPTIDES XZILLION GMBH & CO. KG (DE) 2002-12-12 WO disclosed