SCHEMBL12759755

SCHEMBL12759755

CC(=O)C12CCC(c3ccc(S(=O)O)cc3)(CC1)CC2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.36
SOAT1 P35610 2/20 0.36
PNMT P11086 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL12302191 0.77 NOS3 (0.40) DGAT1SOAT1PNMTNPC1
SCHEMBL16407785 0.77 MAPT (0.39) DGAT1SOAT1PNMTNPC1
SCHEMBL12302201 0.77 PNMT (0.55) DGAT1SOAT1PNMT
SCHEMBL21130940 0.77 PGR (0.46)
SCHEMBL12759775 0.72 DGAT1 (0.36) DGAT1SOAT1PNMTSLC6A2SLC6A4
SCHEMBL19485834 0.71 ESR1 (0.30)
SCHEMBL10011185 0.67 LMNA (0.53) NPC1
SCHEMBL9153089 0.66 CA1 (0.36)
SCHEMBL18768868 0.66 LMNA (0.36)
SCHEMBL12302193 0.66 DGAT1 (0.47) DGAT1SOAT1PNMTNPC1

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-7915252-B2 Sulfonyl compounds as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME (US) 2011-03-29 US disclosed