SCHEMBL8941848

SCHEMBL8941848

CC(C)Oc1ccc(N2CC(COc3ccc(CC4SC(=O)NC4=O)cc3)OC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.52
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
FFAR1 O14842 4/20 0.45
PPARA Q07869 2/20 0.45

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
SCHEMBL2786403 0.90 GRM2 (0.61) GRM2MEN1ALDH1A1TP53CYP1A2
SCHEMBL8942114 0.89 GRM2 (0.53) GRM2MEN1ALDH1A1TP53CYP1A2
SCHEMBL8941936 0.89 MAPT (0.56) GRM2MEN1ALDH1A1TP53CYP1A2
SCHEMBL8941841 0.86 GRM2 (0.52) GRM2MEN1ALDH1A1TP53CYP1A2
SCHEMBL2787185 0.86 GRM2 (0.52) GRM2MEN1ALDH1A1TP53CYP1A2
SCHEMBL2786196 0.86 GRM2 (0.52) GRM2MEN1ALDH1A1TP53CYP1A2
SCHEMBL2789352 0.86 GRM2 (0.63) GRM2MEN1ALDH1A1TP53CYP1A2
SCHEMBL8941874 0.85 GRM2 (0.54) GRM2MEN1ALDH1A1TP53CYP1A2
SCHEMBL8942021 0.85 GRM2 (0.49) GRM2MEN1ALDH1A1TP53CYP1A2
SCHEMBL2786670 0.85 GRM2 (0.48) GRM2MEN1ALDH1A1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521202-A ANTIDIABETIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0645387-A1 THIAZOLIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 EP disclosed