SCHEMBL7026299

SCHEMBL7026299

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.46
▸ CTSS P25774 8/20 0.40
▸ CTSK P43235 7/20 0.40
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ APP P05067 3/20 0.39
▸ PPARA Q07869 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL7020848 0.89 ATM (0.45) ATMCTSSCTSKCTSLCTSB
SCHEMBL7016941 0.88 ATM (0.46) ATMCTSSCTSKCTSLCTSB
SCHEMBL7018122 0.88 ATM (0.46) ATMCTSSCTSKCTSLCTSB
SCHEMBL7020336 0.85 ATM (0.42) ATMCTSSCTSK
SCHEMBL7018564 0.85 ATM (0.42) ATMCTSSCTSKCTSLCTSB
SCHEMBL7464877 0.85 ATM (0.47) ATMCTSSCTSKCTSLCTSB
SCHEMBL7464875 0.85 ATM (0.47) ATMCTSSCTSKCTSLCTSB
SCHEMBL7021557 0.83 PTPN1 (0.44) ATMCTSKSYK
SCHEMBL7021561 0.83 PTPN1 (0.44) ATMCTSKSYK
SCHEMBL7024422 0.81 ATM (0.39) ATMCTSSCTSKKCNA5HDAC3

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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