SCHEMBL168002

SCHEMBL168002

CCOC(=O)Cc1cccc(S(=O)(=O)CC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
KMT2A Q03164 4/20 0.44
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PSIP1 O75475 1/20 0.42

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
SCHEMBL9026247 0.88 PTGS1 (0.45) GAAALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL18151609 0.84 TSHR (0.47) KMT2AALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL68412 0.84 L3MBTL1 (0.50) KMT2AALDH1A1CYP4Z1NPC1PKM
SCHEMBL19332547 0.81 GAA (0.47) GAAKMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL167735 0.81 PSIP1 (0.52) GAAHSD11B1ALDH1A1CYP2C9CYP2C19
SCHEMBL2665972 0.81 KMT2A (0.57) GAAKMT2AHSD11B1ALDH1A1CYP2C9
SCHEMBL16880298 0.81 PSIP1 (0.47) GAAALDH1A1LMNAKDM4EPSIP1
SCHEMBL1107143 0.79 KMT2A (0.56) KMT2AALDH1A1NPC1PKMNFKB1
SCHEMBL1515865 0.79 L3MBTL1 (0.49) KMT2AALDH1A1CYP4Z1TSHRNPC1
SCHEMBL19332645 0.78 LMNA (0.51) GAAKMT2AALDH1A1LMNARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed