SCHEMBL4461435

SCHEMBL4461435

CCc1cc(Cl)c(C(=O)c2ccccc2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.42
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP2D6 P10635 1/20 0.40
RXRA P19793 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL7639376 0.87 MAPT (0.42) MAPTPOLBL3MBTL1TP53HPGD
SCHEMBL31255615 0.82 MAPT (0.49) MAPTPOLBL3MBTL1TP53HPGD
SCHEMBL6155076 0.80 LMNA (0.51) MAPTPOLBL3MBTL1TP53HPGD
Methyl Alcohol SCHEMBL28904294 0.79 LMNA (0.50) MAPTPOLBTP53HPGDCYP1A2
SCHEMBL13645117 0.78 ALDH1A1 (0.56) MAPTPOLBL3MBTL1HPGDCYP1A2
SCHEMBL7637797 0.78 HPGD (0.60) MAPTTP53HPGDCYP1A2CYP2C19
SCHEMBL13170447 0.75 CNR1 (0.41) MAPTPOLBTP53KDM4EHTT
SCHEMBL31255482 0.75 HPGD (0.45) MAPTPOLBTP53HPGDCYP1A2
SCHEMBL7639373 0.75 MAPT (0.42) MAPTPOLBL3MBTL1TP53HPGD
SCHEMBL12304995 0.74 PTGS1 (0.45) MAPTPOLBL3MBTL1TP53HPGD

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
EP-1791852-B8 C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND METHOD FOR THEIR PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2009-04-01 EP 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