SCHEMBL6405071

SCHEMBL6405071

CC(Sc1ccccc1)(C(=O)NO)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
MMP2 P08253 2/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 1/20 0.43
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP8 P22894 4/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4564928 0.77 HDAC1 (0.50) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL2844474 0.74 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL9035777 0.74 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL11313853 0.72 PIN1 (0.46) MAPTKMT2AMMP8POLBKCNN4
SCHEMBL11528914 0.71 CYP2C19 (0.40) MAPTKMT2APOLBCYP2C19HIF1A
SCHEMBL6405065 0.70 MAPT (0.49) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL7722043 0.69 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL6405062 0.69 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4524605 0.69 HDAC8 (0.63) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL30904644 0.68 KCNN4 (0.45) HDAC3HDAC1HDAC2HDAC6MAPT

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
US-20050196819-A1 Methods and compositions to lower plasma cholesterol levels ATHEROGENICS PHARMACEUTICALS, INC. 2005-09-08 US disclosed
US-6887712-B1 Methods and compositions to lower plasma cholesterol levels ATHEROGENICS, INC. (US) 2005-05-03 US disclosed