SCHEMBL2669689

SCHEMBL2669689

CC(C)Oc1cc(C=O)cc(OCCc2ccsc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.54
HPGD P15428 1/20 0.44
ALDH1A3 P47895 1/20 0.40
LNPEP Q9UIQ6 1/20 0.39
PTGES O14684 3/20 0.36
ALOX5 P09917 3/20 0.36
CACNA1B Q00975 2/20 0.36
PPARG P37231 4/20 0.35
PPARA Q07869 2/20 0.34
LTA4H P09960 2/20 0.33
HTR1A P08908 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
PPARD Q03181 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
SCHEMBL718782 0.82 GCK (0.72) GCKLNPEPPTGESALOX5CACNA1B
SCHEMBL9072543 0.81 GCK (0.62) GCKHPGDLNPEPPTGESALOX5
SCHEMBL12020984 0.81 GCK (0.62) GCKHPGDLNPEPPTGESALOX5
SCHEMBL14017936 0.81 GCK (0.59) GCKHPGDLNPEPPTGESALOX5
SCHEMBL2657438 0.80 GCK (0.64) GCKHPGDLNPEPPTGESALOX5
SCHEMBL1299707 0.77 HPGD (0.62) HPGDPPARGPPARALTA4H
SCHEMBL18002195 0.74 ALDH1A3 (0.46) ALDH1A3HTR1A
SCHEMBL1121444 0.73 ALDH1A3 (0.63) HPGDALDH1A3PPARGPPARAPPARD
SCHEMBL2666392 0.73 GCK (0.60) GCKHPGDLNPEPCACNA1BPPARG
SCHEMBL2664775 0.73 GCK (0.68) GCKHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009023718-A2 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2009-02-19 WO disclosed