SCHEMBL8941260

SCHEMBL8941260

CC(C)c1cc(C(C)C)c(OS(=O)(=O)CC(=O)NC(c2ccccc2)c2ccccc2)c(C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.48
MYC P01106 1/20 0.48
SOAT1 P35610 1/20 0.48
MAP2K3 P46734 1/20 0.48
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 2/20 0.39
MDM4 O15151 1/20 0.39
LMNA P02545 1/20 0.39
MDM2 Q00987 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8941187 0.90 TSHR (0.48) SOAT2MYCSOAT1MAP2K3TSHR
SCHEMBL8941381 0.80 SOAT1 (0.55) SOAT2MYCSOAT1MAP2K3KMT2A
SCHEMBL8941282 0.79 SOAT2 (0.46) SOAT2MYCSOAT1MAP2K3
SCHEMBL8941259 0.75 SOAT2 (0.42) SOAT2MYCSOAT1MAP2K3KMT2A
SCHEMBL8962577 0.72 TSHR (0.46) SOAT2SOAT1TSHRKMT2AMEN1
SCHEMBL8941392 0.69 SMN1; SMN2 (0.56) SOAT2MYCSOAT1MAP2K3KMT2A
SCHEMBL8941146 0.69 SOAT2 (0.47) SOAT2MYCSOAT1MAP2K3
SCHEMBL8121753 0.69 TSHR (0.55) TSHRKMT2AMEN1MAPTMDM4
SCHEMBL28812298 0.68 SOAT2 (0.43) SOAT2MYCSOAT1MAP2K3ALDH1A1
SCHEMBL14015388 0.67 FABP4 (0.58) 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-1996019444-A1 SULFONATE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO claimed
WO-1996019444-A1 SULFONATE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO disclosed
US-5510379-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-04-23 US disclosed