SCHEMBL6511023

SCHEMBL6511023

Cc1ccc(CN(CCC(=O)O)Cc2cccc(Cc3ccccc3)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LTA4H P09960 2/20 0.38
MEP1B Q16820 1/20 0.38
NCOR2 Q9Y618 2/20 0.37
LTB4R Q15722 2/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
RIPK1 Q13546 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 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
SCHEMBL6512010 0.84 LTB4R (0.42) HDAC3HDAC1HDAC2HDAC8MTNR1A
SCHEMBL6511657 0.84 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8MTNR1A
SCHEMBL6512357 0.83 TAS2R14 (0.43) HDAC3HDAC1HDAC2HDAC8THRB
SCHEMBL6511823 0.82 LTB4R (0.40) HDAC3HDAC1HDAC2HDAC8MTNR1A
SCHEMBL6512519 0.82 POLB (0.50) HDAC3HDAC1HDAC2HDAC8THRB
SCHEMBL6511947 0.81 MTNR1A (0.47) HDAC3HDAC1HDAC2HDAC8MTNR1A
SCHEMBL6515044 0.80 ALDH1A1 (0.41) HDAC3HDAC1HDAC2HDAC8THRB
SCHEMBL6510830 0.79 POLB (0.45) HDAC3HDAC1HDAC2HDAC8THRB
SCHEMBL6513642 0.79 ESR1 (0.49) HDAC3HDAC1HDAC2HDAC8THRB
SCHEMBL6531193 0.78 LTA4H (0.46) HDAC3HDAC1HDAC2HDAC8MTNR1A

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed