SCHEMBL6511947

SCHEMBL6511947

CCc1cccc(CN(CCC(=O)O)Cc2cccc(Cc3ccccc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
LTA4H P09960 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
NCOR2 Q9Y618 2/20 0.43
MEP1B Q16820 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PPARG P37231 1/20 0.41
RORC P51449 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 1/20 0.40
PTPN1 P18031 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6511657 0.91 HDAC3 (0.50) MTNR1AMTNR1BLTA4HHDAC3HDAC1
SCHEMBL6512357 0.88 TAS2R14 (0.43) MTNR1AMTNR1BLTA4HHDAC3HDAC1
SCHEMBL6510728 0.86 HDAC1 (0.44) MTNR1AMTNR1BLTA4HHDAC3HDAC1
SCHEMBL6510153 0.85 PKM (0.47) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL6519103 0.85 KMT2A (0.50) MTNR1AMTNR1BLTA4HHDAC3HDAC1
SCHEMBL6515044 0.84 ALDH1A1 (0.41) MTNR1AMTNR1BLTA4HHDAC3HDAC1
SCHEMBL6513642 0.83 ESR1 (0.49) MTNR1AMTNR1BLTA4HHDAC3HDAC1
SCHEMBL6509203 0.83 PPARA (0.48) PPARGBCHE
SCHEMBL6512683 0.83 MEP1B (0.46) LTA4HMEP1BL3MBTL1
SCHEMBL6531193 0.83 LTA4H (0.46) MTNR1AMTNR1BLTA4HHDAC3HDAC1

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