SCHEMBL29944956

SCHEMBL29944956

CCOC(=O)c1cccc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(OC)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 6/20 0.63
SREBF1 P36956 6/20 0.63
NR1H2 P55055 4/20 0.63
MAPK1 P28482 3/20 0.57
HSD17B10 Q99714 3/20 0.57
EDNRA P25101 4/20 0.53
EDNRB P24530 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 3/20 0.50
TSHR P16473 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL27245384 1.00 NR1H3 (0.63) NR1H3SREBF1NR1H2MAPK1HSD17B10
SCHEMBL27245351 0.92 NR1H3 (0.64) NR1H3SREBF1NR1H2MAPK1HSD17B10
SCHEMBL29944893 0.92 NR1H3 (0.64) NR1H3SREBF1NR1H2MAPK1HSD17B10
SCHEMBL27030595 0.88 EDNRA (0.61) SREBF1MAPK1EDNRAEDNRBSMN1; SMN2
SCHEMBL27030601 0.79 SREBF1 (0.89) NR1H3SREBF1NR1H2MAPK1HSD17B10
SCHEMBL30300538 0.79 MAPK1 (0.69) NR1H3SREBF1NR1H2MAPK1HSD17B10
SCHEMBL27245361 0.78 SREBF1 (0.89) NR1H3SREBF1NR1H2MAPK1HSD17B10
SCHEMBL29944859 0.78 SREBF1 (0.89) NR1H3SREBF1NR1H2MAPK1HSD17B10
SCHEMBL29944870 0.78 MEN1 (0.58) NR1H3SREBF1NR1H2MAPK1HSD17B10
SCHEMBL27245391 0.78 MEN1 (0.58) NR1H3SREBF1NR1H2MAPK1HSD17B10

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-4308554-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA The Board of Trustees of the University of Illinois (US) 2024-01-24 EP disclosed
WO-2022197658-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-09-22 WO disclosed