SCHEMBL8495463

SCHEMBL8495463

CC(C)c1cc(C(C)C)c(CCC(=O)O)c(C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.53
FABP4 P15090 2/20 0.53
THRA P10827 5/20 0.43
THRB P10828 5/20 0.43
USP5 P45974 1/20 0.43
FABP5 Q01469 1/20 0.43
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SOAT2 O75908 1/20 0.39
MYC P01106 1/20 0.39
SOAT1 P35610 1/20 0.39
MAP2K3 P46734 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRB1 P18505 2/20 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
SCHEMBL28715990 0.90 FABP3 (0.43) FABP3FABP4THRATHRBUSP5
SCHEMBL27986389 0.87 FABP3 (0.50) FABP3FABP4THRATHRBUSP5
SCHEMBL8137246 0.81 FABP3 (0.57) FABP3FABP4THRATHRBUSP5
SCHEMBL7109323 0.75 FABP3 (0.39) FABP3FABP4USP5FABP5GABRA1
SCHEMBL30327294 0.74 TRPV1 (0.44) FABP3FABP4THRATHRBNPSR1
SCHEMBL17488926 0.74 FABP3 (0.49) FABP3FABP4THRATHRBUSP5
SCHEMBL12889909 0.74 USP5 (0.47) FABP3FABP4THRATHRBUSP5
SCHEMBL31415928 0.72 GABRA1 (0.42) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL27986405 0.72 FABP4 (0.41) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL8136292 0.72 FABP4 (0.50) FABP3FABP4FABP5GABRA1GABRB2

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-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
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
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