SCHEMBL6609754

SCHEMBL6609754

CC(C)(C)c1cc(-c2csc(CC3(O)CNCC3O)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.54
▸ CNR1 P21554 7/20 0.44
▸ PTGS1 P23219 4/20 0.34
▸ PTGS2 P35354 4/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33

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
SCHEMBL6609622 0.83 CNR2 (0.59) CNR2CNR1PTGS1PTGS2ALOX5
SCHEMBL6612866 0.80 CNR2 (0.55) CNR2CNR1PTGS1PTGS2GAA
SCHEMBL6607985 0.80 CNR2 (0.55) CNR2CNR1PTGS1PTGS2GAA
SCHEMBL6607480 0.80 CNR2 (0.55) CNR2CNR1PTGS1PTGS2GAA
SCHEMBL6607859 0.78 CNR2 (0.53) CNR2CNR1PTGS1PTGS2KDM4E
SCHEMBL6607837 0.74 CNR2 (0.53) CNR2CNR1PTGS1PTGS2KDM4E
SCHEMBL1929381 0.74 CNR2 (0.72) CNR2CNR1PTGS1PTGS2KDM4E
SCHEMBL197161 0.72 CNR2 (0.71) CNR2CNR1PTGS1PTGS2GAA
SCHEMBL1928747 0.72 CNR2 (0.71) CNR2CNR1PTGS1PTGS2KDM4E
SCHEMBL1928214 0.72 CNR2 (0.59) CNR2CNR1PTGS1PTGS2KDM4E

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-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 — — EP claimed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 — — WO claimed
EP-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 — — EP disclosed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 — — WO disclosed
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