SCHEMBL8960774

SCHEMBL8960774

Cc1ccc(S(=O)(=O)O)c(C[C@@](C)(O)CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 2/20 0.35
MEP1B Q16820 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
RECQL P46063 1/20 0.35
CASP6 P55212 1/20 0.35
ELAVL1 Q15717 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.34
ALOX12 P18054 1/20 0.34
GFER P55789 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CYP2C19 P33261 1/20 0.33
SLC13A5 Q86YT5 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
SCHEMBL658696 0.83 GAA (0.39) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL7627786 0.83 MEN1 (0.39) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL30667161 0.83 MEN1 (0.39) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL30457518 0.81 ALDH1A1 (0.37) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL8380602 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL625779 0.81 ALDH1A1 (0.37) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL1806437 0.80 MPL (0.38) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL31303476 0.79 MEN1 (0.40) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL10647911 0.79 POLB (0.37) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL10648574 0.79 KMT2A (0.36) ALDH1A1MEN1KMT2APOLBL3MBTL1

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-0388778-B1 Preparation of dioxolane derivatives HOFFMANN LA ROCHE (CH) 1996-01-10 EP disclosed
EP-0388778-A2 Preparation of dioxolane derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-26 EP disclosed