SCHEMBL8962444

SCHEMBL8962444

CC(C)c1cc(C(C)C)c(C(C(=O)O)S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.41
MYC P01106 1/20 0.41
SOAT1 P35610 1/20 0.41
MAP2K3 P46734 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
FABP3 P05413 2/20 0.40
FABP4 P15090 2/20 0.40
FABP5 Q01469 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8962450 0.84 SRC (0.45) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL8962989 0.83 KMT2A (0.48) LMNAKMT2A
SCHEMBL8962537 0.75 LMNA (0.46) LMNAKMT2A
SCHEMBL8962533 0.74 KMT2A (0.43) SOAT1LMNAKMT2A
SCHEMBL9391001 0.72 LMNA (0.44) LMNAKMT2A
SCHEMBL9059564 0.68 SOAT2 (0.46) SOAT2MYCSOAT1MAP2K3
SCHEMBL8618922 0.68 SOAT2 (0.58) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL5188630 0.68 ALDH1A1 (0.54) LMNAKMT2AFABP3FABP4FABP5
SCHEMBL7082105 0.68 NLRP3 (0.50) LMNAKMT2A
SCHEMBL3991483 0.68 SOAT2 (0.51) SOAT2MYCSOAT1MAP2K3

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
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 US claimed
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 US disclosed