SCHEMBL13776958

SCHEMBL13776958

Cc1ccc(NC(=O)CCc2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.59
HDAC8 Q9BY41 4/20 0.59
HDAC3 O15379 3/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC10 Q969S8 3/20 0.59
HDAC11 Q96DB2 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC4 P56524 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
TRPV1 Q8NER1 1/20 0.59
POLB P06746 2/20 0.58
MAPT P10636 2/20 0.56
CYP1A1 P04798 1/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 2/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL12345556 0.86 MEN1 (0.67) HDAC2HDAC8HDAC3HDAC1HDAC10
SCHEMBL29079367 0.86 KMT2A (0.58) HDAC2HDAC8HDAC3HDAC1HDAC10
SCHEMBL12576837 0.86 GAA (0.61) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL1471759 0.85 MAPT (0.77) HDAC2HDAC8HDAC3HDAC1HDAC10
SCHEMBL13389060 0.85 MAPT (0.77) HDAC2HDAC8HDAC3HDAC1HDAC10
SCHEMBL10954256 0.84 MEN1 (0.59) HDAC2HDAC8HDAC3HDAC1HDAC10
SCHEMBL2456637 0.83 SMN1; SMN2 (0.73) POLBMAPTMEN1KMT2AGAA
SCHEMBL11705109 0.83 TRPV1 (0.82) HDAC2HDAC8HDAC3HDAC1HDAC10
SCHEMBL12915848 0.83 MAPT (0.80) HDAC2HDAC8HDAC3HDAC1HDAC10
SCHEMBL13675964 0.83 TRPV1 (0.62) HDAC2HDAC8HDAC3HDAC1HDAC10

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
US-20090165215-A1 PROCESS FOR THE ENHANCEMENT OF THERMOSTABILITY HUNTSMAN INTERNATIONAL LLC (TX) 2009-07-02 US disclosed