SCHEMBL7208338

SCHEMBL7208338

CC(C)c1[c]c(C(C)C)cc(C(=O)C(C)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CES1 P23141 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7206919 0.86 CYP1A2 (0.41) CYP1A2CYP2D6MAPTKMT2ACES1
SCHEMBL11880019 0.75 CES1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7212843 0.75 CES2 (0.52) MAPTCES1SMN1; SMN2BCL2MCL1
SCHEMBL7208336 0.75 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9408445 0.73 ALDH1A1 (0.44) CYP1A2CYP2D6CNR1CNR2KMT2A
SCHEMBL7207551 0.71 L3MBTL1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7211288 0.71 PTGS2 (0.41) MAPTCES1KDM4EHIF1ASMN1; SMN2
SCHEMBL7206391 0.70 MAPT (0.47) CNR2MAPTKMT2ACES1KDM4E
SCHEMBL11273437 0.68 CES1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14627381 0.68 ESR1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2

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