SCHEMBL7206833

SCHEMBL7206833

COc1ccc(OC)c(CC(=O)c2ccc(C(C)C)c(OS(N)(=O)=O)c2C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TTR P02766 1/20 0.39
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
ADRA1A P35348 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
RORC P51449 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
SCHEMBL7207636 0.88 TTR (0.50) HSD17B10SMN1; SMN2LMNAHTTTTR
SCHEMBL7207616 0.86 SMN1; SMN2 (0.37) GAASMN1; SMN2LMNAHTTMEN1
SCHEMBL7574177 0.77 SOAT2 (0.49) CA1CA2
SCHEMBL7207511 0.76 STS (0.48) LMNAHTTMEN1KMT2ACA1
SCHEMBL5469639 0.76 SOAT2 (0.43) CA1CA2
SCHEMBL7211812 0.76 SOAT2 (0.34) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9078229 0.76 SOAT2 (0.48) CA1CA2
SCHEMBL8498432 0.76 SOAT2 (0.42) CA1CA2
SCHEMBL7207612 0.75 POLQ (0.37) TTRCA1CA2RORC
SCHEMBL7206836 0.74 TP53 (0.37) HSD17B10LMNAMEN1KMT2AHTR2A

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