SCHEMBL2177096

SCHEMBL2177096

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 2/20 0.43
KCNA5 P22460 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 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
SCHEMBL2176940 0.80 MAPT (0.43) ALDH1A1L3MBTL1MAPTLMNANPC1
SCHEMBL2178503 0.78 L3MBTL1 (0.54) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL2178071 0.77 L3MBTL1 (0.53) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL6932995 0.74 MMP1 (0.54) ALDH1A1TDP1MAPTLMNANPC1
SCHEMBL2323676 0.74 TP53 (0.43) ALDH1A1L3MBTL1MAPTKCNA5TP53
SCHEMBL2363585 0.74 TP53 (0.43) ALDH1A1L3MBTL1MAPTKCNA5TP53
SCHEMBL2318294 0.74 TP53 (0.43) ALDH1A1L3MBTL1MAPTKCNA5TP53
SCHEMBL21926455 0.74 MAPT (0.48) ALDH1A1L3MBTL1TDP1MAPTLMNA
SCHEMBL2177735 0.73 KCNA5 (0.43) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL2179422 0.73 L3MBTL1 (0.49) ALDH1A1L3MBTL1TSHRMAPK1TDP1

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