SCHEMBL8137246

SCHEMBL8137246

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.57
FABP4 P15090 2/20 0.57
SOAT2 O75908 1/20 0.47
MYC P01106 1/20 0.47
SOAT1 P35610 1/20 0.47
MAP2K3 P46734 1/20 0.47
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
FABP5 Q01469 1/20 0.46
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
USP5 P45974 1/20 0.38
AGBL2 Q5U5Z8 1/20 0.37
THRA P10827 6/20 0.37
THRB P10828 6/20 0.37
AKR1B1 P15121 1/20 0.35
RARG P13631 1/20 0.35
RXRA P19793 1/20 0.35
PPARG P37231 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL19610487 0.88 FABP3 (0.46) FABP3FABP4SOAT2MYCSOAT1
SCHEMBL20681236 0.87 FABP3 (0.43) FABP3FABP4SOAT2MYCSOAT1
SCHEMBL19610490 0.86 CA1 (0.46) FABP3FABP4SOAT2MYCSOAT1
SCHEMBL20699064 0.84 KDM4E (0.44) FABP3FABP4GAAKDM4ETHRA
SCHEMBL19475246 0.82 GABRA1 (0.50) FABP3FABP4GAAKDM4EGABRA1
SCHEMBL19475203 0.82 NLRP3 (0.41) FABP3FABP4GAAKDM4EAGBL2
SCHEMBL20681232 0.82 GABRA1 (0.50) FABP3FABP4GAAKDM4EGABRA1
SCHEMBL8136292 0.82 FABP4 (0.50) FABP3FABP4SOAT2MYCSOAT1
SCHEMBL23319820 0.81 THRB (0.40) FABP3FABP4GAAKDM4EGABRA1
SCHEMBL7207662 0.81 FABP4 (0.58) FABP3FABP4SOAT2MYCSOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057169-B Catalyst for olefin polymerization and preparation method and application thereof 中国石油化工股份有限公司 2023-02-28 CN disclosed
US-6093744-A USE AS CEREBROVASCULAR AGENTS IN DISEASES SUCH AS STROKE, PERIPHERAL VASCULAR DISEASE, RESTENOSIS, AND AS AGENTS FOR REGULATING PLASMA CHOLESTEROL CONCENTRATIONS, FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-07-25 US disclosed
US-6017905-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-01-25 US disclosed
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-5807846-A TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1998-09-15 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