SCHEMBL14830784

SCHEMBL14830784

CC(=O)O[C@H](CCl)Cn1c(C)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
SLC18A3 Q16572 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
THRB P10828 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
NR4A1 P22736 1/20 0.37
APEX1 P27695 1/20 0.37
APOBEC3A P31941 1/20 0.37
RECQL P46063 1/20 0.37
HIF1A Q16665 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4821975 0.78 BACE1 (0.47) ALDH1A1MAPTKDM4EKMT2AL3MBTL1
SCHEMBL14830332 0.78 USP2 (0.35) ALDH1A1POLBMAPTSMN1; SMN2KDM4E
Formaldehyde SCHEMBL27608246 0.76 BACE1 (0.45) ALDH1A1MAPTKDM4EKMT2AL3MBTL1
SCHEMBL203645 0.73
SCHEMBL4814647 0.72 PTGER4 (0.47) ARSLC18A3ALDH1A1POLBMAPT
SCHEMBL5810973 0.72 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1
SCHEMBL5810977 0.72 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1
SCHEMBL28774116 0.71 CHRM1 (0.65) ALDH1A1SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL6933814 0.68
SCHEMBL204785 0.68

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
WO-2013046211-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-N-({(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL) PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)-2-THIOPHENE-CARBOXAMIDE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-04-04 WO disclosed
WO-2013046211-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-N-({(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL) PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)-2-THIOPHENE-CARBOXAMIDE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-04-04 WO disclosed