SCHEMBL8588906

SCHEMBL8588906

CC(C)NC(C)C.CCOC(=O)N(S)S

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.33
SOAT1 P35610 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
MMP8 P22894 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4553199 0.85
SCHEMBL10881445 0.83
SCHEMBL5023957 0.83
Malonic Acid Diethyl Ester SCHEMBL1218139 0.74 GAA (0.71) MGAMGAASIMGAM2ALDH1A1
Ethyl Acetate SCHEMBL10340376 0.74 ALDH1A1 (0.67) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11060319 0.72 ALDH1A1 (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11717458 0.72
SCHEMBL11692562 0.71 ALDH1A1 (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10204950 0.70 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4680662 0.70 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1

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-1998037074-A1 PROCESS FOR PREPARATION OF 2-MERCAPTOTHIAZOLE ZENECA LIMITED (GB) 1998-08-27 WO disclosed