SCHEMBL7206358

SCHEMBL7206358

CC(C)c1[c]c(C(C)C)c(C(=O)C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.31
SLC25A5 P05141 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7206363 0.75 HDAC3 (0.40) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL7211852 0.72 HRH3 (0.42) HDAC4
SCHEMBL7207547 0.70 L3MBTL1 (0.43) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL7206915 0.69 KCNN4 (0.37) KMT2ACYP1A2
SCHEMBL7206345 0.65 GABRA1 (0.41) KMT2ACYP1A2TSHR
SCHEMBL12513637 0.65 HDAC3 (0.52) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL7211946 0.64 CHRM3 (0.45) KMT2ACYP1A2TSHR
SCHEMBL16163077 0.64 HDAC3 (0.52) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL7207786 0.64 CHRM2 (0.41) POLBKMT2ATSHR
SCHEMBL7211973 0.64 AKR1C1 (0.45) HDAC4KMT2A

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 5 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-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 disclosed
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 disclosed