SCHEMBL7211115

SCHEMBL7211115

CC(C)c1[c]c(C(C)C)c(C(=O)CCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ABCB1 P08183 7/20 0.41
KEAP1 Q14145 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP19A1 P11511 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
FFAR1 O14842 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7206388 0.86 TSHR (0.41) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL7211116 0.75 RAB9A (0.51) ALDH1A1RAB9ANPC1ABCB1KEAP1
SCHEMBL7206345 0.73 GABRA1 (0.41) MEN1KMT2ATSHR
SCHEMBL7207547 0.72 L3MBTL1 (0.43) ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL7212819 0.71 TTR (0.53) MEN1KMT2AL3MBTL1GAAMAPT
SCHEMBL7211973 0.69 AKR1C1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7207786 0.69 CHRM2 (0.41) ALDH1A1MEN1KMT2AKCNH2TSHR
SCHEMBL4161434 0.68 KCNH2 (0.49) CYP1A1CYP1B1ALDH1A1RAB9ANPC1
SCHEMBL27889179 0.67 RECQL (0.62) CYP1A1CYP1B1ALDH1A1RAB9ANPC1
SCHEMBL11859611 0.67 MAPT (0.53) CYP1A1CYP1B1ALDH1A1RAB9ANPC1

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
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