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SCHEMBL8941450

SCHEMBL8941450

CC(C)c1cc(C(C)C)c(S(=O)(=O)OCCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SOAT1 P35610 3/20 0.48
▸ SOAT2 O75908 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6273593 0.73 NLRP3 (0.52) SOAT1
SCHEMBL8941378 0.72 SMN1; SMN2 (0.50) SMN1; SMN2SOAT1SOAT2MEN1KMT2A
SCHEMBL9843936 0.71 SMN1; SMN2 (0.77) SMN1; SMN2SOAT1SOAT2MEN1KMT2A
SCHEMBL8941392 0.69 SMN1; SMN2 (0.56) SMN1; SMN2SOAT1SOAT2MEN1KMT2A
SCHEMBL9463095 0.68 SMN1; SMN2 (0.72) SMN1; SMN2SOAT1SOAT2MEN1KMT2A
SCHEMBL28229524 0.68 SMN1; SMN2 (0.72) SMN1; SMN2SOAT1SOAT2MEN1KMT2A
SCHEMBL7829260 0.68 SOAT1 (0.63) SMN1; SMN2SOAT1SOAT2MEN1KMT2A
SCHEMBL9678560 0.68 SOAT1 (0.63) SMN1; SMN2SOAT1SOAT2MEN1KMT2A
SCHEMBL6270943 0.68 SOAT1 (0.63) SMN1; SMN2SOAT1SOAT2MEN1KMT2A
SCHEMBL8941381 0.68 SOAT1 (0.55) SMN1; SMN2SOAT1SOAT2MEN1KMT2A

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 disclosed