SCHEMBL28104591

SCHEMBL28104591

CCOC(=O)c1cccc(CSc2ccccc2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 1/20 0.44
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.43
CDC25B P30305 1/20 0.42
MEN1 O00255 1/20 0.42
ALOX5 P09917 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL28104330 0.88 L3MBTL1 (0.51) ALDH1A1L3MBTL1TSHRHSD17B10PPARG
SCHEMBL28104617 0.87 ALOX5 (0.48) ALDH1A1L3MBTL1MAPK1TSHRPPARG
SCHEMBL28104576 0.85 PPARG (0.48) ALDH1A1L3MBTL1PPARGPPARALMNA
SCHEMBL29196257 0.82 TSHR (0.59) ALDH1A1L3MBTL1TSHRHSD17B10LMNA
SCHEMBL1647924 0.80 LMNA (0.47) ALDH1A1L3MBTL1MAPK1TDP1LMNA
SCHEMBL23773427 0.79 TSHR (0.68) ALDH1A1TSHRHSD17B10LMNAMAPT
SCHEMBL18801320 0.79 LMNA (0.47) ALDH1A1L3MBTL1MAPK1TDP1LMNA
SCHEMBL29196223 0.78 TSHR (0.54) ALDH1A1L3MBTL1TSHRTDP1HSD17B10
SCHEMBL17083285 0.78 TSHR (0.54) ALDH1A1TSHRHSD17B10LMNAMAPT
SCHEMBL28104336 0.77 CXCR2 (0.46) ALDH1A1L3MBTL1TSHRLMNAHPGD

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
CN-102639494-B Sulphones and preparation and application thereof 扎夫根公司 2016-11-09 CN disclosed