SCHEMBL8962450

SCHEMBL8962450

CC(C)c1cc(C(C)C)c(NS(=O)(=O)C(C(=O)O)c2ccccc2)c(C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.45
FABP3 P05413 2/20 0.41
FABP4 P15090 2/20 0.41
FABP5 Q01469 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
KAT6A Q92794 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
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

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
SCHEMBL8962989 0.89 KMT2A (0.48) SRC
SCHEMBL8962444 0.84 SOAT2 (0.41) FABP3FABP4FABP5TDP1SOAT2
SCHEMBL5188630 0.76 ALDH1A1 (0.54) FABP3FABP4FABP5KAT6AGAA
SCHEMBL8962533 0.76 KMT2A (0.43) SOAT1
SCHEMBL8720137 0.72 FABP4 (0.58) FABP3FABP4FABP5TDP1SOAT2
SCHEMBL8962404 0.71 FABP3 (0.46) FABP3FABP4FABP5SOAT2MYC
SCHEMBL6480534 0.69 SRC (0.56) SRCPTPN1PTPN6PTPN11TDP1
SCHEMBL24307696 0.69 FABP3 (0.41) FABP3FABP4FABP5TDP1
SCHEMBL8962537 0.68 LMNA (0.46)
SCHEMBL6204480 0.66 SRC (0.67) SRCPTPN1PTPN6PTPN11

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