SCHEMBL18040

SCHEMBL18040

CC1(COc2ccc(Cc3cc(Br)ccc3Cl)cc2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 14/20 0.45
SLC5A1 P13866 7/20 0.45
HPGD P15428 3/20 0.44
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
PPARG P37231 1/20 0.36

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
SCHEMBL18072 0.99 HPGD (0.46) SLC5A2SLC5A1HPGDMEN1ALDH1A1
SCHEMBL17831 0.90 SLC5A2 (0.43) SLC5A2SLC5A1HPGDHTR2ASLC6A4
SCHEMBL23912 0.86 SLC5A2 (0.38) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL17356 0.85 SLC5A2 (0.38) SLC5A2SLC5A1
SCHEMBL17334 0.83 SLC5A2 (0.38) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL18499 0.83 SLC5A2 (0.39) SLC5A2SLC5A1SLC6A4
SCHEMBL18178 0.80 SLC5A2 (0.39) SLC5A2SLC5A1
SCHEMBL17483 0.80 SLC5A2 (0.40) SLC5A2SLC5A1
SCHEMBL29386304 0.79 SLC5A2 (0.53) SLC5A2SLC5A1ALDH1A1MAPT
SCHEMBL38150 0.79 SLC5A2 (0.53) SLC5A2SLC5A1ALDH1A1MAPT

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
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed