SCHEMBL8941378

SCHEMBL8941378

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ENPP3 O14638 2/20 0.47
ENPP1 P22413 2/20 0.47
SOAT2 O75908 2/20 0.46
SOAT1 P35610 2/20 0.46
MYC P01106 1/20 0.46
MAP2K3 P46734 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NLRP3 Q96P20 1/20 0.43

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
SCHEMBL8941381 0.76 SOAT1 (0.55) SMN1; SMN2SOAT2SOAT1MYCMAP2K3
SCHEMBL8941450 0.72 SMN1; SMN2 (0.49) SMN1; SMN2SOAT2SOAT1KMT2AMEN1
SCHEMBL9843936 0.72 SMN1; SMN2 (0.77) SMN1; SMN2SOAT2SOAT1KMT2AMEN1
SCHEMBL9463623 0.72 SMN1; SMN2 (0.62) SMN1; SMN2SOAT2SOAT1KMT2AMEN1
SCHEMBL8941429 0.71 HSP90AA1 (0.44) SMN1; SMN2ENPP3ENPP1KMT2AMEN1
SCHEMBL11888501 0.71 FABP4 (0.55) ENPP3ENPP1SOAT2SOAT1MYC
SCHEMBL9463263 0.71 SMN1; SMN2 (0.60) SMN1; SMN2SOAT2SOAT1KMT2AMEN1
SCHEMBL28229524 0.69 SMN1; SMN2 (0.72) SMN1; SMN2SOAT2SOAT1KMT2AMEN1
SCHEMBL9463095 0.69 SMN1; SMN2 (0.72) SMN1; SMN2SOAT2SOAT1KMT2AMEN1
SCHEMBL17639907 0.69 FABP4 (0.57) ENPP3ENPP1SOAT2SOAT1MYC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510379-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-04-23 US claimed