SCHEMBL27658593

SCHEMBL27658593

CC(=O)OCS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.52
HSD11B1 P28845 7/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.46
BCAT1 P54687 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7504782 0.83 ALDH1A1 (0.53) ALDH1A1POLBHTT
SCHEMBL13604258 0.82 PSIP1 (0.46) PSIP1HSD11B1ALDH1A1POLBMAPT
SCHEMBL11407383 0.81 HSD11B1 (0.56) PSIP1HSD11B1ALDH1A1POLBMAPT
SCHEMBL27747516 0.81 NPC1 (0.51) HSD11B1ALDH1A1POLBMAPTHTT
SCHEMBL27658743 0.81 POLB (0.48) HSD11B1ALDH1A1POLB
SCHEMBL12237322 0.81 CA2 (0.53) PSIP1HSD11B1ALDH1A1POLBMAPT
SCHEMBL27987111 0.81 PSIP1 (0.47) PSIP1HSD11B1POLBMAPTL3MBTL1
SCHEMBL27678832 0.80 HDAC3 (0.42) ALDH1A1L3MBTL1
SCHEMBL27658595 0.80 CYP1A2 (0.47)
SCHEMBL27658684 0.80 ATM (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1938273-B Tetrahydrocarbazoles and derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-14 CN disclosed
CN-1938273-A Tetrahydrocarbazoles and derivatives HOFFMANN LA ROCHE (CH) 2007-03-28 CN disclosed