SCHEMBL6087635

SCHEMBL6087635

CCOC(=O)[C@@H]1CSC(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.49
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.40
PKM P14618 2/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2549787 1.00 CTH (0.49) CTHALDH1A1KMT2AMEN1PKM
SCHEMBL8429877 0.89 CTH (0.43) CTHALDH1A1KMT2AMEN1PKM
SCHEMBL8425570 0.84 CTH (0.45) CTHALDH1A1KMT2AMEN1PKM
SCHEMBL7204462 0.83 ALDH1A1 (0.37) CTHALDH1A1KMT2AMEN1MAPT
SCHEMBL13140460 0.82 CTH (0.49) CTHALDH1A1KMT2AHTT
SCHEMBL13140454 0.82 CTH (0.49) CTHALDH1A1KMT2AHTT
SCHEMBL28115995 0.81 ALDH1A1 (0.42) CTHALDH1A1KMT2AMEN1PKM
SCHEMBL8977676 0.81 ALDH1A1 (0.42) CTHALDH1A1KMT2AMEN1PKM
SCHEMBL8429735 0.80 CTH (0.42) CTHALDH1A1KMT2AMEN1PKM
SCHEMBL16361273 0.80 KMT2A (0.60) CTHALDH1A1KMT2AMEN1MAPT

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
US-7109223-B2 Oxazolidin-2-one and thiazolidin-2-one derivatives for use as EP4 receptor agonists in the treatment of glaucoma MERCK & CO. INC. (US) 2006-09-19 US disclosed