SCHEMBL7308600

SCHEMBL7308600

CC1(C)OC[C@@H](CO)O1.Cc1ccc(S(=O)(=O)O)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.41
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 6/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
HSD17B10 Q99714 4/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7298938 1.00 CA2 (0.41) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL9244068 0.86 CA2 (0.40) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL2232494 0.86 CA2 (0.40) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL1942008 0.86 CA2 (0.40) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL1888652 0.84 CA2 (0.39) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL10699301 0.81 ESR2 (0.40) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL3489599 0.79 CA2 (0.37) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL6630551 0.76 CA2 (0.56) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL6630549 0.76 CA2 (0.56) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL6042316 0.75 CA2 (0.41) CA2TMEM97SIGMAR1ALDH1A1NPSR1

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
EP-0657440-B1 Oxazolidine-2-one derivatives as MAO inhibitors HOFFMANN LA ROCHE (CH) 2000-04-05 EP disclosed
EP-0657440-A1 Oxazolidine-2-one derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-06-14 EP disclosed