SCHEMBL9630128

SCHEMBL9630128

CC(C)(C)c1cc(-c2csc(CCC(=O)O)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.63
CNR1 P21554 6/20 0.46
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39

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
SCHEMBL9842418 0.86 CNR2 (0.59) CNR2CNR1GAAHDAC3HDAC4
SCHEMBL3180782 0.84 CNR2 (0.60) CNR2CNR1KDM4EGAAMAPT
SCHEMBL9585436 0.84 CNR2 (0.57) CNR2CNR1KDM4EGAAMAPT
SCHEMBL1928224 0.84 CNR2 (0.59) CNR2CNR1KDM4EGAAMAPT
SCHEMBL5097779 0.83 CNR2 (0.67) CNR2CNR1CA1CA2PTGS1
SCHEMBL2342868 0.81 CNR2 (0.62) CNR2CNR1KDM4EGAAMAPT
SCHEMBL1929381 0.81 CNR2 (0.72) CNR2CNR1KDM4EGAAMAPT
SCHEMBL1927472 0.81 CNR2 (0.64) CNR2CNR1KDM4EGAAMAPT
SCHEMBL1928240 0.80 CNR2 (0.75) CNR2CNR1KDM4EGAAMAPT
SCHEMBL197161 0.80 CNR2 (0.71) CNR2CNR1GAACA1CA2

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
US-5137897-A Nonsteroidal antiinflammatory agents; therapy for rheumatic diseases HOECHST AKTIENGESLLSCHAFT (DE) 1992-08-11 US claimed
EP-0432740-A2 2-Substituted 4-(3-alkyl-5-tert.-butyl-4-hydroxy-phenyl)-thiazole, process for their preparation, medicaments containing them and their utilization HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-19 EP claimed
US-5137897-A Nonsteroidal antiinflammatory agents; therapy for rheumatic diseases HOECHST AKTIENGESLLSCHAFT (DE) 1992-08-11 US disclosed
EP-0432740-A2 2-Substituted 4-(3-alkyl-5-tert.-butyl-4-hydroxy-phenyl)-thiazole, process for their preparation, medicaments containing them and their utilization HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-19 EP disclosed