SCHEMBL13704243

SCHEMBL13704243

CCC(C)C(=O)OC(C)c1ccc2c(ccc3ccc(S)cc32)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.35
AKR1C2 P52895 5/20 0.35
AKR1B1 P15121 1/20 0.34
AKR1C1 Q04828 1/20 0.33
PTGS1 P23219 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13704235 0.86 AKR1C3 (0.36) AKR1C3AKR1C2AKR1B1AKR1C1PTGS1
SCHEMBL13704232 0.86 AKR1B1 (0.48) AKR1C3AKR1C2AKR1B1L3MBTL1
SCHEMBL13704240 0.85 AKR1B1 (0.47) AKR1C3AKR1C2AKR1B1L3MBTL1
SCHEMBL13704466 0.83 TSHR (0.32) AKR1C3AKR1C2
SCHEMBL2740652 0.78 UGT2B7 (0.47) AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL13704414 0.77 LMNA (0.30) AKR1C3AKR1C2
SCHEMBL13704294 0.77 AKR1B1 (0.44) AKR1C3AKR1C2AKR1B1L3MBTL1
SCHEMBL2740645 0.77 GLA (0.44) AKR1C3AKR1C2AKR1C1PTGS1TDP1
SCHEMBL13704255 0.77 GLA (0.44) AKR1C3AKR1C2AKR1C1PTGS1TDP1
SCHEMBL13704249 0.77 GLA (0.44) AKR1C3AKR1C2AKR1C1PTGS1TDP1

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-20090226822-A1 RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-09-10 US disclosed