SCHEMBL7206836

SCHEMBL7206836

CC(C)c1ccc(C(=O)Cc2c(Cl)cccc2Cl)c(C(C)C)c1OS(N)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SOAT2 O75908 1/20 0.36
MYC P01106 1/20 0.36
SOAT1 P35610 1/20 0.36
MAP2K3 P46734 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
AKR1B1 P15121 1/20 0.35
PDE4D Q08499 2/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL5469639 0.90 SOAT2 (0.43) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL8498432 0.89 SOAT2 (0.42) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL7574177 0.83 SOAT2 (0.49) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL7207511 0.83 STS (0.48) TP53MAPTCA12CA1CA2
SCHEMBL7211812 0.82 SOAT2 (0.34) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL9078229 0.82 SOAT2 (0.48) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL5704825 0.81 CA12 (0.39) SOAT2MYCSOAT1MAP2K3CA12
SCHEMBL7207616 0.80 SMN1; SMN2 (0.37) TP53MAPTCA12CA1CA2
SCHEMBL7207636 0.79 TTR (0.50) MAPTCA12CA1CA2CA9
SCHEMBL7211202 0.77 CA12 (0.38) SOAT2MYCSOAT1MAP2K3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841913-B1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER LAMBERT CO (US) 2003-02-05 EP claimed
EP-0698010-B1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER LAMBERT CO (US) 1999-04-14 EP disclosed
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
US-5491172-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-02-13 US 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