SCHEMBL6438457

SCHEMBL6438457

CCOC(=O)C(C)(C)Cc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RIPK1 Q13546 1/20 0.48
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
TRPM8 Q7Z2W7 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MMP8 P22894 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL16994851 0.89 HSD17B10 (0.49) HSD17B10SMN1; SMN2RIPK1RAB9ANPC1
SCHEMBL18349185 0.82 ALDH1A1 (0.45) HSD17B10SMN1; SMN2RIPK1RAB9ANPC1
SCHEMBL28013833 0.78 POLB (0.51) SMN1; SMN2RIPK1RAB9ANPC1ALDH1A1
SCHEMBL4485884 0.78 RIPK1 (0.50) RIPK1RAB9AALDH1A1POLBHPGD
SCHEMBL6870554 0.78 RIPK1 (0.50) HSD17B10RIPK1RAB9ANPC1MEN1
SCHEMBL5166957 0.76 ALDH1A1 (0.43) HSD17B10SMN1; SMN2RIPK1RAB9ANPC1
SCHEMBL2989486 0.74 TSHR (0.42) HSD17B10SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL1456077 0.74 ALDH1A1 (0.43) HSD17B10SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL7450936 0.74 TSHR (0.42) HSD17B10SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL28013830 0.74 RIPK1 (0.50) HSD17B10SMN1; SMN2RIPK1RAB9ATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1288203-B1 Cyclic nitrones and pharmaceutical compositions containing them AVENTIS PHARMA INC (US) 2005-04-20 EP disclosed
EP-1288203-A1 Cyclic nitrones and pharmaceutical compositions containing them Aventis Pharmaceuticals Inc. (US) 2003-03-05 EP disclosed
US-5962469-A PREVENTION OF OXIDATION TISSUE DAMAGE BY FREE RADICALS HOECHST MARION ROUSSEL INC. (US) 1999-10-05 US disclosed
EP-0863878-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 EP disclosed
WO-1997010218-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1997-03-20 WO disclosed