SCHEMBL19354597

SCHEMBL19354597

CCOC(=O)CC1SC(C)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 2/20 0.38
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL19321854 0.70 TSHR (0.40) TSHRHSD17B10CYP1A2ALDH1A1MAPT
SCHEMBL12480441 0.69 HTT (0.53) TSHRHSD17B10CYP1A2ALDH1A1MAPT
SCHEMBL6345936 0.68 MAPT (0.41) TSHRHSD17B10CYP1A2ALDH1A1MAPT
SCHEMBL2257497 0.66 KMT2A (0.41) TSHRHSD17B10CYP1A2ALDH1A1KMT2A
SCHEMBL11307625 0.66 ITGB1 (0.55) TSHRHSD17B10CYP1A2ALDH1A1MAPT
SCHEMBL19322055 0.66 TSHR (0.39) TSHRHSD17B10CYP1A2ALDH1A1MAPT
SCHEMBL3745667 0.66 CYP1A2 (0.44) TSHRHSD17B10CYP1A2ALDH1A1MAPT
SCHEMBL10503347 0.65 SMN1; SMN2 (0.54) TSHRHSD17B10CYP1A2ALDH1A1MAPT
Water SCHEMBL9787126 0.65 CYP2D6 (0.47) CYP1A2ALDH1A1MAPTKMT2APOLB
SCHEMBL19321853 0.64 TSHR (0.38) TSHRHSD17B10CYP1A2ALDH1A1MAPT

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-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed