SCHEMBL4735587

SCHEMBL4735587

CC(C)c1ccccc1OC(=S)N(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
NISCH Q9Y2I1 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP1A2 P05177 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
CES2 O00748 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 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
SCHEMBL10585501 0.79 CYP1A2 (0.46) L3MBTL1NISCHADRA2AADRA2BADRA2C
SCHEMBL799296 0.79 NCEH1 (0.55) TSHRCES2LMNA
SCHEMBL15173067 0.78 GABRA1 (0.42) L3MBTL1NISCHADRA2AADRA2BADRA2C
SCHEMBL10983999 0.77 LMNA (0.61) L3MBTL1CYP1A2CYP2C19LMNASLC6A2
SCHEMBL24813703 0.76 TP53 (0.48) L3MBTL1TSHRLMNAALDH1A1CA1
SCHEMBL13158912 0.76 ALDH1A1 (0.39) L3MBTL1CYP1A2TSHRLMNAALDH1A1
SCHEMBL22829872 0.74 FABP7 (0.37) L3MBTL1TSHRCYP2C19LMNAALDH1A1
SCHEMBL991362 0.73 TSHR (0.50) L3MBTL1CYP1A2TSHRCYP2C19GABRA1
SCHEMBL720572 0.73 KDM4E (0.55) CYP1A2TSHRCYP2C19GABRA1GABRB2
SCHEMBL7044519 0.72 THRB (0.45) L3MBTL1ADRA2ATSHRCYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO disclosed
EP-0302792-B1 Alkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI SA (FR) 1994-10-26 EP disclosed
EP-0302793-B1 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI ELF (FR) 1993-12-15 EP disclosed
US-5215988-A Treating angina, hypertension, arrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-06-01 US disclosed
US-5147878-A Hypotensive, antiarrhythmia agents SANOFI (FR) 1992-09-15 US disclosed
US-5017579-A Use of aminoalkoxyphenyl derivatives for reducing and/or controlling excessive intraocular pressure SANOFI (FR) 1991-05-21 US disclosed
US-4994474-A Hypotensive agents SANOFI (FR) 1991-02-19 US disclosed
EP-0302792-A2 Alkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI (FR) 1989-02-08 EP disclosed