SCHEMBL13754236

SCHEMBL13754236

CC(C)(N)CCCCN1C(=O)S/C(=C\c2ccc(O)c(C(F)(F)F)c2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.66
BAG3 O95817 1/20 0.45
S1PR1 P21453 3/20 0.45
S1PR3 Q99500 2/20 0.44
AKR1B1 P15121 1/20 0.43
MYC P01106 1/20 0.43
PPARG P37231 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CISD1 Q9NZ45 1/20 0.41

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
SCHEMBL12406521 0.89 SLC2A1 (0.63) SLC2A1BAG3S1PR1S1PR3AKR1B1
SCHEMBL2175040 0.89 SLC2A1 (0.63) SLC2A1BAG3S1PR1S1PR3AKR1B1
SCHEMBL2175035 0.89 SLC2A1 (0.63) SLC2A1BAG3S1PR1S1PR3AKR1B1
SCHEMBL12406492 0.89 SLC2A1 (0.71) SLC2A1BAG3S1PR1S1PR3AKR1B1
SCHEMBL2173260 0.89 SLC2A1 (0.71) SLC2A1BAG3S1PR1S1PR3AKR1B1
SCHEMBL2173255 0.89 SLC2A1 (0.71) SLC2A1BAG3S1PR1S1PR3AKR1B1
SCHEMBL2176193 0.88 SLC2A1 (0.72) SLC2A1BAG3S1PR1S1PR3AKR1B1
SCHEMBL12406460 0.88 SLC2A1 (0.72) SLC2A1BAG3S1PR1S1PR3AKR1B1
SCHEMBL13754235 0.88 SLC2A1 (0.66) SLC2A1BAG3S1PR1AKR1B1PPARG
SCHEMBL2176191 0.88 SLC2A1 (0.72) SLC2A1BAG3S1PR1S1PR3AKR1B1

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
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 WO disclosed