SCHEMBL13075832

SCHEMBL13075832

CCCOCC(=O)Cc1ccc(CC[C@H]2CO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 2/20 0.36
ENPP2 Q13822 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.34
SPHK2 Q9NRA0 4/20 0.34
SPHK1 Q9NYA1 3/20 0.34

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
SCHEMBL13076286 0.77 DRD2 (0.34) MGLLLMNA
SCHEMBL13076225 0.77 DRD2 (0.34) MGLLLMNA
SCHEMBL9571886 0.75 ESR1 (0.46) ALDH1A1HSD17B10LMNA
SCHEMBL13075828 0.74 CYP1A2 (0.41) ALDH1A1HPGDHSD17B10LMNA
SCHEMBL28214402 0.74 CES1 (0.45) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL21663226 0.71 PIK3CA (0.42) MEN1KMT2A
SCHEMBL9132367 0.70 KMT2A (0.52) THRATHRBKMT2AHPGDHSD17B10
SCHEMBL1499301 0.70 ALOX5 (0.44) THRATHRBMEN1KMT2AMGLL
SCHEMBL9133875 0.70 CYP4A11 (0.57) MGLLALDH1A1HPGDHSD17B10
SCHEMBL8804536 0.69 TAAR1 (0.45) THRATHRBMEN1KMT2AALDH1A1

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-2010124385-A1 PROCESSES FOR THE PREPARATION OF RIVAROXABAN AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2010-11-04 WO disclosed