SCHEMBL4651502

SCHEMBL4651502

CCC(Cc1ccc(OC)cc1)(C(=O)c1ccccc1)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 5/20 0.43
NPC1 O15118 5/20 0.43
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.41
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TAS2R14 Q9NYV8 2/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL4651504 0.95 ACHE (0.51) ACHECES2CES1MEN1KMT2A
SCHEMBL8631398 0.94 ACHE (0.43) ACHECES2CES1MEN1KMT2A
SCHEMBL7943207 0.91 LMNA (0.47) ACHEMEN1KMT2ARAB9ANPC1
SCHEMBL8897587 0.89 ACHE (0.57) ACHECES2CES1MEN1KMT2A
Benzene SCHEMBL28672020 0.87 RIPK1 (0.43) CES2CES1MEN1KMT2ARAB9A
SCHEMBL4650526 0.87 RIPK1 (0.43) CES2CES1MEN1KMT2ARAB9A
SCHEMBL8899530 0.87 ACHE (0.51) ACHECES2CES1MEN1KMT2A
SCHEMBL5590415 0.86 L3MBTL1 (0.45) ACHEMEN1KMT2ARAB9ANPC1
SCHEMBL14156794 0.85 NPY5R (0.47) ACHEMEN1KMT2ARAB9ANPC1
SCHEMBL4651748 0.85 NPC1 (0.41) CES2CES1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968965-A2 A METHOD FOR THE PREPARATION OF (S)-N-METHYL-3-(l-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE HYDROCHLORIDE (DULOXETINE) Zentiva, a.s. (CZ) 2008-09-17 EP disclosed
WO-2007076733-A2 A METHOD FOR THE PREPARATION OF (S)-N-METΗYL-3-(l-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE HYDROCHLORIDE (DULOXETINE) ZENTIVA A.S. (CZ) 2007-07-12 WO disclosed
US-6887347-B2 Cellulose fibers comprising radiation activatable resin formalities THE PROCTER AND GAMBLE COMPANY (US) 2005-05-03 US disclosed
US-20040140070-A1 Cellulose fibers comprising radiation activatable resin formalities THE PROCTER & GAMBLE COMPANY 2004-07-22 US disclosed