SCHEMBL7017071

SCHEMBL7017071

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ ATM Q13315 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ AKT3 Q9Y243 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ EGFR P00533 1/20 0.34
▸ MEN1 O00255 1/20 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
SCHEMBL7022904 0.84 ELANE (0.36) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL7016941 0.84 ATM (0.46) CTSLATM
SCHEMBL7018122 0.84 ATM (0.46) CTSLATM
SCHEMBL4783076 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TP53ALDH1A1GAAMAPT
SCHEMBL2524061 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TP53ALDH1A1GAAMAPT
SCHEMBL2524063 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TP53ALDH1A1GAAMAPT
SCHEMBL17643623 0.82 AAK1 (0.44) SMN1; SMN2TP53ALDH1A1GAAMAPT
SCHEMBL7452715 0.79 CTSS (0.41) TP53ALDH1A1HPGDATMAAK1
SCHEMBL7452712 0.79 CTSS (0.41) TP53ALDH1A1HPGDATMAAK1
SCHEMBL25152942 0.78 AAK1 (0.41) SMN1; SMN2TP53ALDH1A1MAPTCTSL

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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