SCHEMBL2177735

SCHEMBL2177735

CCOC(=O)C(C)(C(CC)c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 1/20 0.38
STAT1 P42224 1/20 0.38
PTGER1 P34995 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 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
SCHEMBL2176072 0.80 L3MBTL1 (0.46) ALDH1A1MAPTL3MBTL1KDM4ETSHR
Bicarbonate SCHEMBL2179821 0.79 KCNA5 (0.39) KCNA5ALDH1A1MAPTTP53POLB
Bicarbonate SCHEMBL2179815 0.79 KCNA5 (0.39) KCNA5ALDH1A1MAPTTP53POLB
SCHEMBL2177209 0.79 MAPT (0.41) KCNA5ALDH1A1MAPTTP53POLB
Bicarbonate SCHEMBL2179811 0.78 KCNA5 (0.41) KCNA5ALDH1A1MAPTTP53POLB
SCHEMBL15226528 0.77 L3MBTL1 (0.43) POLBL3MBTL1KDM4ELMNASMN1; SMN2
SCHEMBL2181081 0.75 L3MBTL1 (0.41) ALDH1A1MAPTL3MBTL1KDM4ETSHR
SCHEMBL2177096 0.73 ALDH1A1 (0.45) KCNA5ALDH1A1MAPTTP53POLB
SCHEMBL15226484 0.73 AOC3 (0.41) L3MBTL1KDM4ETDP1
SCHEMBL12802502 0.71 CYP2C9 (0.57) L3MBTL1KDM4ETDP1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011080756-A1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-07 WO disclosed