SCHEMBL20749210

SCHEMBL20749210

CCOC(=O)C[C@@H](O)c1ccc(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CASP1 P29466 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL29418619 0.77 GABBR2 (0.41) GABBR2GABBR1SMN1; SMN2ALDH1A1HPGD
SCHEMBL16808676 0.77 GABBR2 (0.41) GABBR2GABBR1SMN1; SMN2ALDH1A1HPGD
SCHEMBL29045259 0.76 GABBR2 (0.43) GABBR2GABBR1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3312576 0.75 ALDH1A1 (0.41) GABBR2GABBR1SMN1; SMN2ALDH1A1HPGD
SCHEMBL23258012 0.75 GABBR2 (0.42) GABBR2GABBR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL22585593 0.75 GABBR2 (0.42) GABBR2GABBR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL2859011 0.74 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL2867866 0.74 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL2859012 0.74 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL27551239 0.74 GABBR2 (0.41) GABBR2GABBR1SMN1; SMN2ALDH1A1HPGD

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
EP-3443959-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2019-02-20 EP disclosed