SCHEMBL7020848

SCHEMBL7020848

CC(C)NC(=S)c1ccccc1C[C@@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.45
▸ CTSS P25774 8/20 0.40
▸ CTSK P43235 7/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ APP P05067 3/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ ACE P12821 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ XBP1 P17861 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
SCHEMBL7026299 0.89 ATM (0.46) ATMCTSSCTSKKCNA5APP
SCHEMBL7018122 0.87 ATM (0.46) ATMCTSSCTSKKCNA5APP
SCHEMBL7016941 0.87 ATM (0.46) ATMCTSSCTSKKCNA5APP
SCHEMBL7020336 0.84 ATM (0.42) ATMCTSSCTSKKMT2A
SCHEMBL7018564 0.84 ATM (0.42) ATMCTSSCTSKKCNA5APP
SCHEMBL7464877 0.84 ATM (0.47) ATMCTSSCTSKKCNA5APP
SCHEMBL7464875 0.84 ATM (0.47) ATMCTSSCTSKKCNA5APP
SCHEMBL7021557 0.82 PTPN1 (0.44) ATMCTSKSYK
SCHEMBL7021561 0.82 PTPN1 (0.44) ATMCTSKSYK
SCHEMBL7024422 0.80 ATM (0.39) ATMCTSSCTSKKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149076-B1 O-THIOCARBAMOYL-AMINOALKANOL COMPOUNDS, THEIR PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR PREPARING THE SAME SK CORP (KR) 2003-10-22 — — EP disclosed
EP-1149076-A1 O-THIOCARBAMOYL-AMINOALKANOL COMPOUNDS, THEIR PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR PREPARING THE SAME SK Corporation (KR) 2001-10-31 — — EP disclosed
WO-2000046191-A1 O-THIOCARBAMOYL-AMINOALKANOL COMPOUNDS, THEIR PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR PREPARING THE SAME SK CORPORATION (KR) 2000-08-10 — — WO disclosed
US-5935997-A O-thiocarbamoyl-aminoalkanol compounds, their pharmaceutically useful salts and process for preparing the same YUKONG LIMITED (KR) 1999-08-10 — — US disclosed
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