SCHEMBL16238

SCHEMBL16238

CC1(COc2ccc(Cc3cc(Br)ccc3F)cc2)CCC(F)(F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC5A1 P13866 2/20 0.35
SLC5A2 P31639 2/20 0.35
SCN9A Q15858 4/20 0.33
SSTR5 P35346 1/20 0.32
CACNA1H O95180 2/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32

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
SCHEMBL17831 0.87 SLC5A2 (0.43) ACACBHPGDSLC5A1SLC5A2HTR2A
SCHEMBL18062 0.79 CCR5 (0.39) ACACBSLC5A1SLC5A2SCN9ACCR5
SCHEMBL17916 0.77 SLC5A2 (0.52) HPGDMEN1ALDH1A1MAPTTSHR
SCHEMBL18722 0.77 CCR5 (0.37) SLC5A1SLC5A2SCN9ACCR5HTR2C
SCHEMBL18040 0.76 SLC5A2 (0.45) HPGDMEN1ALDH1A1TP53CYP1A2
SCHEMBL18072 0.75 HPGD (0.46) HPGDMEN1ALDH1A1TP53CYP1A2
SCHEMBL18273 0.74 SLC5A2 (0.65) SLC5A1SLC5A2
SCHEMBL18452 0.74 SLC5A2 (0.65) SLC5A1SLC5A2
SCHEMBL18170 0.74 SLC5A2 (0.65) SLC5A1SLC5A2
SCHEMBL181059 0.74 L3MBTL1 (0.45) MEN1ALDH1A1TP53MAPTKMT2A

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