SCHEMBL4457422

SCHEMBL4457422

CCC1(Cl)C=CC(Br)=CC1C(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RORC P51449 1/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EP300 Q09472 1/20 0.31
ACHE P22303 1/20 0.31
MCL1 Q07820 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
HBB P68871 1/20 0.31
GSK3B P49841 2/20 0.31
TRPA1 O75762 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL28825175 0.81 ALDH1A1 (0.33) NPC1L3MBTL1CES2CES1ALDH1A1
SCHEMBL28019025 0.80 MAPT (0.34) NPC1L3MBTL1CES2CES1ALDH1A1
SCHEMBL4262537 0.80 MAPT (0.33) NPC1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9149341 0.67 SMN1; SMN2 (0.35) NPC1L3MBTL1CES2CES1ALDH1A1
SCHEMBL6657774 0.67 L3MBTL1 (0.37) NPC1L3MBTL1CES2CES1ALDH1A1
SCHEMBL9001396 0.65 HTT (0.36) NPC1L3MBTL1CES2CES1ALDH1A1
SCHEMBL28359455 0.64 NPC1 (0.37) NPC1L3MBTL1CES2CES1ALDH1A1
SCHEMBL22682960 0.64 HTT (0.35) NPC1L3MBTL1CES2CES1ALDH1A1
SCHEMBL29091452 0.64 NPC1 (0.40) NPC1L3MBTL1CES2CES1ALDH1A1
SCHEMBL27825782 0.64 MAPT (0.33) NPC1L3MBTL1CES2CES1ALDH1A1

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
CN-101065391-B C-aryl glucoside sglt2 inhibitors and method BRISTOL MYERS SQUIBB CO 2011-07-27 CN disclosed
EP-1791852-B8 C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND METHOD FOR THEIR PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2009-04-01 EP disclosed
CN-101065391-A C-aryl glucoside sglt2 inhibitors and method BRISTOL MYERS SQUIBB CO (US) 2007-10-31 CN disclosed
EP-1791852-A2 C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND METHOD FOR THEIR PRODUCTION Brystol-Myers Squibb Company (US) 2007-06-06 EP disclosed
WO-2006034489-A2 C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND METHOD FOR THEIR PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO disclosed