SCHEMBL13383124

SCHEMBL13383124

COC(=O)/C(=C\c1ccc(N(C)C)cc1)COC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.46
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
PSMD14 O00487 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 7/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL1087741 0.84 APP (0.49) APPALDH1A1KMT2AMEN1PSMD14
SCHEMBL14582037 0.81 APP (0.49) APPALDH1A1KMT2AMEN1PSMD14
SCHEMBL13172008 0.76 APP (0.63) APPALDH1A1KMT2AMEN1HDAC3
SCHEMBL11983560 0.75 KMT2A (0.51) APPALDH1A1KMT2AMEN1PSMD14
SCHEMBL28367287 0.75 APP (0.58) APPALDH1A1KMT2AMEN1HDAC3
SCHEMBL28322148 0.74 MEN1 (0.53) APPALDH1A1KMT2AMEN1PSMD14
SCHEMBL701808 0.74 HDAC3 (0.54) APPALDH1A1KMT2AMEN1PSMD14
SCHEMBL701807 0.74 HDAC3 (0.54) APPALDH1A1KMT2AMEN1PSMD14
SCHEMBL14652936 0.74 RECQL (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7102965 0.74 RECQL (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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
EP-2180467-A1 Photon-mode recording method Fujifilm Corporation (JP) 2010-04-28 EP disclosed