SCHEMBL9759966

SCHEMBL9759966

C=CCOC(=O)[C@H](CS)NO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CASP1 P29466 2/20 0.31
SNCA P37840 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL10975759 0.81 CASP1 (0.44) SMN1; SMN2CASP1MEN1KMT2AALDH1A1
SCHEMBL10976689 0.81 CASP1 (0.44) SMN1; SMN2CASP1MEN1KMT2AALDH1A1
SCHEMBL2791101 0.80 SMN1; SMN2 (0.52) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL8628765 0.80 SMN1; SMN2 (0.52) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL2791099 0.80 SMN1; SMN2 (0.52) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL10976804 0.78 MAPT (0.33) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL28968948 0.74 SMN1; SMN2 (0.57) MAPTSMN1; SMN2
SCHEMBL3077154 0.74 TSHR (0.33) MAPTCACNA1BAPBA1TDP1TSHR
SCHEMBL15722123 0.74 SMN1; SMN2 (0.57) MAPTSMN1; SMN2
SCHEMBL28968951 0.74 SMN1; SMN2 (0.57) MAPTSMN1; SMN2

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-5047428-A Side effect reduction SS PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US claimed