SCHEMBL2363585

SCHEMBL2363585

CCC(COS(=O)(=O)c1ccc(C)cc1)C(CC)c1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KCNA5 P22460 1/20 0.39
STAT1 P42224 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PKM P14618 1/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAOB P27338 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CYP24A1 Q07973 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
SCHEMBL2318294 0.89 TP53 (0.43) TP53MAPTKCNA5STAT1CHRM2
SCHEMBL2323676 0.89 TP53 (0.43) TP53MAPTKCNA5STAT1CHRM2
SCHEMBL2537512 0.81 CHRM2 (0.52) TP53MAPTSTAT1CHRM2CHRM1
SCHEMBL4754272 0.77 GAA (0.42) PKMPOLBALDH1A1
SCHEMBL15471681 0.76 TDP1 (0.37) MAPTL3MBTL1ALDH1A1BCHEACHE
SCHEMBL15474074 0.76 CA12 (0.41)
SCHEMBL2176940 0.76 MAPT (0.43) TP53MAPTKCNA5STAT1CHRM2
SCHEMBL7260356 0.76 TP53 (0.41) TP53MAPTSTAT1CHRM2CHRM1
SCHEMBL15465418 0.75 AR (0.43) MAOBBCHE
SCHEMBL2177096 0.74 ALDH1A1 (0.45) TP53MAPTKCNA5STAT1CHRM2

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-2011092719-A2 PROCESS FOR THE PREPARATION OF L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-08-04 WO disclosed