SCHEMBL7206954

SCHEMBL7206954

CC(C)c1[c]c(C(C)C)c(C(=O)COc2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
GLRA1 P23415 1/20 0.32
NLRP3 Q96P20 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7206867 0.88 SRD5A2 (0.38) SRD5A2GLRA1
SCHEMBL7206345 0.81 GABRA1 (0.41) GABRA1GABRG2GABRB3TSHR
SCHEMBL7206959 0.77 GLRA1 (0.39) SRD5A2SCN5ASCN9ASCN10AGLRA1
SCHEMBL7212856 0.71 AKR1B1 (0.41)
SCHEMBL9474040 0.71 KMT2A (0.55) SRD5A2GLRA1ALOX15TSHR
SCHEMBL7206377 0.70 LMNA (0.37)
SCHEMBL7206924 0.70 SOAT2 (0.39) GABRA1
SCHEMBL9474053 0.70 SCN5A (0.41) GABRA1GABRG2GABRB3SCN5ASCN9A
SCHEMBL5704825 0.69 CA12 (0.39)
SCHEMBL15517637 0.68 NLRP3 (0.46) NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841913-B1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER LAMBERT CO (US) 2003-02-05 EP claimed
US-5633287-A N-acyl sulfamic acid esters (or thioesters), N-acyl sulfonamides, and n-sulfonyl carbamic acid esters (or thioesters) as hypercholesterolemic agents WARNER-LAMBERT COMPANY (US) 1997-05-27 US disclosed