SCHEMBL8462152

SCHEMBL8462152

CC(C)(C)c1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.77
HDAC8 Q9BY41 3/20 0.77
NR1H4 Q96RI1 2/20 0.71
KMT2A Q03164 2/20 0.71
MEN1 O00255 1/20 0.71
KCNK9 Q9NPC2 1/20 0.62
TP53 P04637 1/20 0.61
HDAC3 O15379 3/20 0.59
EPHX2 P34913 1/20 0.59
LMNA P02545 1/20 0.58
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
KCNK3 O14649 1/20 0.57
FFAR1 O14842 1/20 0.56
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HPSE Q9Y251 1/20 0.55
PTGS1 P23219 1/20 0.55
TRPV1 Q8NER1 1/20 0.54

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
SCHEMBL12201888 0.89 HDAC8 (0.74) HDAC6HDAC8NR1H4KMT2AMEN1
SCHEMBL8458778 0.87 HDAC8 (0.78) HDAC6HDAC8NR1H4KMT2AMEN1
SCHEMBL8460187 0.86 HDAC6 (0.75) HDAC6HDAC8NR1H4KMT2AMEN1
SCHEMBL7297239 0.84 NR1H4 (0.81) HDAC6HDAC8NR1H4KMT2AMEN1
SCHEMBL3873116 0.84 NR1H4 (0.81) HDAC6HDAC8NR1H4KMT2AMEN1
SCHEMBL9067770 0.84 KMT2A (1.00) HDAC6HDAC8KMT2AMEN1KCNK9
SCHEMBL2058359 0.82 KMT2A (0.96) HDAC6HDAC8NR1H4KMT2AMEN1
SCHEMBL13561213 0.81 KCNK9 (0.83) HDAC6HDAC8NR1H4KMT2AMEN1
SCHEMBL14195814 0.81 KCNK9 (0.83) HDAC6HDAC8NR1H4KMT2AMEN1
SCHEMBL179538 0.81 RXRA (0.66) HDAC6HDAC8NR1H4RXRARXRB

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
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed