SCHEMBL8941392

SCHEMBL8941392

CC(C)c1cccc(C(C)C)c1NC(=O)CS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SOAT1 P35610 3/20 0.48
SOAT2 O75908 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MYC P01106 1/20 0.48
MAP2K3 P46734 1/20 0.48

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
SCHEMBL8941313 0.91 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ATDP1SOAT1
SCHEMBL8941381 0.91 SOAT1 (0.55) SMN1; SMN2MEN1KMT2ATDP1SOAT1
SCHEMBL9359202 0.82 NLRP3 (0.56) SMN1; SMN2
SCHEMBL8941146 0.81 SOAT2 (0.47) SOAT1SOAT2MYCMAP2K3
SCHEMBL8941512 0.80 SOAT2 (0.46) SOAT1SOAT2MYCMAP2K3
SCHEMBL8941187 0.79 TSHR (0.48) SOAT1SOAT2MYCMAP2K3
SCHEMBL8962535 0.78 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2ATDP1SOAT1
SCHEMBL8941439 0.77
SCHEMBL8041519 0.77 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ATDP1SOAT1
SCHEMBL9843936 0.77 SMN1; SMN2 (0.77) SMN1; SMN2MEN1KMT2ATDP1SOAT1

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