SCHEMBL7206902

SCHEMBL7206902

CC(C)c1[c]c(C(C)C)cc(C(=O)Cc2ccsc2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GRM1 Q13255 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 4/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MME P08473 2/20 0.36

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
SCHEMBL7206391 0.79 MAPT (0.47) NPC1RAB9AGRM1ALDH1A1KMT2A
SCHEMBL359526 0.72 L3MBTL1 (0.49) TDP1NPC1RAB9AALDH1A1KMT2A
SCHEMBL7206347 0.71 GABRA1 (0.43) CYP1A2KMT2APTGS1
SCHEMBL3281242 0.71 PARP1 (0.45) TDP1NPC1RAB9AGRM1KMT2A
Hydrochloric Acid SCHEMBL27642400 0.70 L3MBTL1 (0.48) TDP1NPC1RAB9AALDH1A1KMT2A
SCHEMBL9911542 0.70 ALDH1A1 (0.47) TDP1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL7212859 0.70 AKR1B1 (0.45) CYP2C9CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL1515727 0.69 RAB9A (0.47) TDP1NPC1RAB9AGRM1L3MBTL1
SCHEMBL1515924 0.69 CYP1A2 (0.44) TDP1NPC1RAB9AGRM1CYP1A2
SCHEMBL6319444 0.69 L3MBTL1 (0.59) TDP1NPC1RAB9AGRM1L3MBTL1

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 4 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
EP-0841913-A1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER-LAMBERT COMPANY (US) 1998-05-20 EP claimed
WO-1997005868-A1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER-LAMBERT COMPANY (US) 1997-02-20 WO claimed
EP-0698010-A1 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) 1996-02-28 EP claimed