SCHEMBL8962404

SCHEMBL8962404

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.46
FABP4 P15090 2/20 0.46
FABP5 Q01469 1/20 0.45
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
SOAT2 O75908 1/20 0.38
MYC P01106 1/20 0.38
SOAT1 P35610 1/20 0.38
MAP2K3 P46734 1/20 0.38
GAA P10253 1/20 0.37
HDAC1 Q13547 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CYP26A1 O43174 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 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
SCHEMBL8962380 0.83 LMNA (0.47)
SCHEMBL8720137 0.76 FABP4 (0.58) FABP3FABP4FABP5SOAT2MYC
SCHEMBL9059564 0.74 SOAT2 (0.46) SOAT2MYCSOAT1MAP2K3
SCHEMBL8941282 0.72 SOAT2 (0.46) FABP3FABP4FABP5SOAT2MYC
SCHEMBL5188630 0.71 ALDH1A1 (0.54) FABP3FABP4FABP5GAA
SCHEMBL8962450 0.71 SRC (0.45) FABP3FABP4FABP5SOAT2MYC
SCHEMBL8962531 0.70 SMN1; SMN2 (0.47)
SCHEMBL17611222 0.69 FABP3 (0.53) FABP3FABP4FABP5GAAHDAC1
SCHEMBL9390816 0.69 SMN1; SMN2 (0.50)
SCHEMBL8962536 0.69 SOAT1 (0.44) SOAT1

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
WO-1996019446-A1 β-CARBOXY SULFONAMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO claimed
WO-1996019446-A1 β-CARBOXY SULFONAMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO disclosed
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 US disclosed