SCHEMBL6607837

SCHEMBL6607837

CC(C)(C)c1cc(-c2csc(CC3CNCCC3O)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.53
▸ CNR1 P21554 7/20 0.41
▸ NISCH Q9Y2I1 1/20 0.34
▸ PTGS2 P35354 3/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ MGAM O43451 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL1928747 0.74 CNR2 (0.71) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL6609754 0.74 CNR2 (0.54) CNR2CNR1NISCHPTGS2PTGS1
SCHEMBL1928214 0.73 CNR2 (0.59) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL7258954 0.73 HPGDS (0.49) CNR2CNR1NISCHPTGS2PTGS1
SCHEMBL1929381 0.73 CNR2 (0.72) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL2339833 0.73 CNR2 (0.58) CNR2CNR1NISCHGAAKDM4E
SCHEMBL1927474 0.72 CNR2 (0.67) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL1926652 0.72 CNR2 (0.57) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL1927436 0.72 ALDH1A1 (0.58) CNR2CNR1GAAKDM4EMAPT
SCHEMBL7258912 0.72 BAZ2A (0.46) CNR2CNR1NISCHPTGS2PTGS1

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
Send feedback