SCHEMBL7102450

SCHEMBL7102450

NC(=O)CCC(O)C(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.58
KMT2A Q03164 4/20 0.55
METAP2 P50579 1/20 0.49
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 5/20 0.44
LTA4H P09960 1/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
ATM Q13315 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
KDM1A O60341 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL3678883 0.89 HDAC2 (0.74) HDAC2KMT2APOLBLTA4HMEN1
SCHEMBL16964230 0.83 HDAC2 (0.57) HDAC2KMT2AMETAP2POLBL3MBTL1
SCHEMBL4747179 0.83 POLB (0.50) HDAC2KMT2AMETAP2POLBL3MBTL1
SCHEMBL2735379 0.81 HDAC2 (0.59) HDAC2KMT2AMETAP2POLBGAA
SCHEMBL4888030 0.79 ROCK1 (0.54) HDAC2KMT2AMETAP2POLBL3MBTL1
SCHEMBL28548192 0.77 POLB (0.55) HDAC2KMT2AMETAP2POLBGAA
SCHEMBL4594451 0.75 MEN1 (0.62) HDAC2KMT2AMETAP2POLBGAA
SCHEMBL28022968 0.75 POLB (0.53) HDAC2KMT2AMETAP2POLBGAA
SCHEMBL3242251 0.75 HDAC2 (0.97) HDAC2LTA4H
SCHEMBL2788251 0.75 KMT2A (0.50) HDAC2KMT2AMETAP2POLBGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278912-A2 HYDROXY-PHENOXYETHER POLYMERS IN PAPERMAKING Advanced Plastics Technologies, Ltd (GB) 2003-01-29 EP disclosed
WO-2001046523-A2 HYDROXY-PHENOXYETHER POLYMERS IN PAPERMAKING ADVANCED PLASTICS TECHNOLOGIES, LTD. (GB) 2001-06-28 WO disclosed