SCHEMBL8293232

SCHEMBL8293232

O=C(c1ccc(-c2ccc(CNCCOc3ccccc3)nc2)s1)C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HTR1A P08908 6/20 0.43
ADRA1D P25100 6/20 0.43
ADRA1A P35348 6/20 0.43
ADRA1B P35368 6/20 0.43
NR4A2 P43354 1/20 0.38
DRD4 P21917 1/20 0.38
ALOX15 P16050 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 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
ADRB1 P08588 5/20 0.36
ADRB3 P13945 5/20 0.36

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
SCHEMBL6507898 0.87 HDAC1 (0.56) HDAC1HTR1AADRA1DADRA1AADRA1B
SCHEMBL6507796 0.85 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6507551 0.70 HDAC1 (0.59) HDAC1HTR1AADRA1DADRA1AADRA1B
SCHEMBL6510525 0.69 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6508309 0.68 HDAC1 (0.84) HDAC1DRD4
SCHEMBL6510559 0.68 HDAC1 (0.79) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8621840 0.67 DRD4 (0.49) HDAC1DRD4HDAC3HDAC4HDAC7
SCHEMBL6507596 0.67 HDAC1 (1.00) HDAC1
SCHEMBL8293231 0.67 HDAC1 (0.62) HDAC1DRD4HDAC3HDAC4HDAC7
SCHEMBL6529349 0.65 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2

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
WO-2005014588-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-02-17 WO disclosed