SCHEMBL8879602

SCHEMBL8879602

CC(C)c1cc(C(C)C)c(CNC(=N)S)c(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
FABP3 P05413 2/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 1/20 0.37
SOAT2 O75908 1/20 0.35
MYC P01106 1/20 0.35
SOAT1 P35610 1/20 0.35
MAP2K3 P46734 1/20 0.35
KLKB1 P03952 2/20 0.33
F10 P00742 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
Bromide SCHEMBL8881072 0.98 GABRA1 (0.38) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL2813653 0.75 GAA (0.30) GAA
Bromide SCHEMBL2810138 0.74
SCHEMBL8127965 0.69 GABRA1 (0.58) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL2464191 0.68 FABP4 (0.44) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL2808016 0.67 SLC11A2 (0.43)
SCHEMBL2807770 0.66
SCHEMBL28217295 0.66 GABRA1 (0.46) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL2810101 0.66 SLC11A2 (0.42)
SCHEMBL8879607 0.66 SLC11A2 (0.50) GABRA1GABRB2FABP3FABP4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633287-A N-acyl sulfamic acid esters (or thioesters), N-acyl sulfonamides, and n-sulfonyl carbamic acid esters (or thioesters) as hypercholesterolemic agents WARNER-LAMBERT COMPANY (US) 1997-05-27 US disclosed
EP-0698010-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-28 EP disclosed
WO-1994026702-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1994-11-24 WO disclosed