SCHEMBL7022904

SCHEMBL7022904

CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc(OC(=O)OC(C)(C)C)cc1C(N)=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GLA P06280 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35

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
SCHEMBL8720423 0.93 ELANE (0.39) ELANEATMKDM1AHDAC3HDAC4
SCHEMBL7458631 0.93 ELANE (0.39) ELANEATMKDM1AHDAC3HDAC4
SCHEMBL7017071 0.84 SMN1; SMN2 (0.40) ATMKDM4EGAAMAPTHPGD
SCHEMBL7016941 0.82 ATM (0.46) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL7018122 0.82 ATM (0.46) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL8717966 0.78 SCN9A (0.49) SCN9APTPN1ITGB3ITGA2BMMP13
SCHEMBL8717972 0.78 SCN9A (0.49) SCN9APTPN1ITGB3ITGA2BMMP13
SCHEMBL7465905 0.78 ATM (0.51) ELANEATMKDM1AHDAC8PCNA
SCHEMBL7465898 0.78 ATM (0.51) ELANEATMKDM1AHDAC8PCNA
SCHEMBL7452715 0.76 CTSS (0.41) ATMHPGDSCN9APTPN1APP

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 3 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
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