SCHEMBL6512251

SCHEMBL6512251

C=Cc1cccc(CN(CCC(=O)O)Cc2cccc(Cc3ccccc3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
PTPN1 P18031 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LTA4H P09960 4/20 0.38
MEP1B Q16820 3/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
MEP1A Q16819 1/20 0.35
MEN1 O00255 1/20 0.35

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 0.87 HDAC3 (0.50) PTPN1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6511947 0.82 MTNR1A (0.47) PTPN1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6512357 0.81 TAS2R14 (0.43) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL6510153 0.81 PKM (0.47) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL6519103 0.81 KMT2A (0.50) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL6515044 0.80 ALDH1A1 (0.41) PTPN1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6511663 0.80 HTT (0.43) PTPN1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6509679 0.80 SMN1; SMN2 (0.45) PTPN1HDAC3HDAC1HDAC2HDAC8
SCHEMBL3998543 0.80 EPOR (0.43) FAAHPTPN1MEP1BALDH1A1BCHE
SCHEMBL6531193 0.79 LTA4H (0.46) HDAC3HDAC1HDAC2HDAC8NCOR2

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