SCHEMBL8941259

SCHEMBL8941259

CC(C)c1cc(C(C)C)c(OS(=O)(=O)CC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.42
MYC P01106 1/20 0.42
SOAT1 P35610 1/20 0.42
MAP2K3 P46734 1/20 0.42
ALDH1A1 P00352 2/20 0.41
FPR1 P21462 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
GLRA1 P23415 1/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
LMNA P02545 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
SCHEMBL8941153 0.79 SOAT2 (0.38) SOAT2MYCSOAT1MAP2K3MEN1
SCHEMBL8941282 0.78 SOAT2 (0.46) SOAT2MYCSOAT1MAP2K3
SCHEMBL8941429 0.77 HSP90AA1 (0.44) ALDH1A1MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL9059390 0.76 SOAT2 (0.36) SOAT2MYCSOAT1MAP2K3MEN1
SCHEMBL8941260 0.75 SOAT2 (0.48) SOAT2MYCSOAT1MAP2K3ALDH1A1
SCHEMBL8941381 0.71 SOAT1 (0.55) SOAT2MYCSOAT1MAP2K3ALDH1A1
SCHEMBL8941146 0.69 SOAT2 (0.47) SOAT2MYCSOAT1MAP2K3
SCHEMBL14015388 0.66 FABP4 (0.58) SOAT2MYCSOAT1MAP2K3
SCHEMBL27562021 0.65 PTGES2 (0.41) SOAT2MYCSOAT1MAP2K3MEN1
SCHEMBL8941187 0.65 TSHR (0.48) 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