SCHEMBL24521601

SCHEMBL24521601

CC(C)(C)OC(=O)Oc1ccc(CCC(=O)NCc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
EPHX2 P34913 6/20 0.52
POLB P06746 2/20 0.47
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
PPARG P37231 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL24521577 0.83 HDAC3 (0.49) GAAEPHX2ALDH1A1KMT2AMEN1
SCHEMBL24521562 0.80 FFAR1 (0.49) POLBL3MBTL1LMNA
SCHEMBL24521507 0.80 EPHX2 (0.62) GAAEPHX2POLBALDH1A1KMT2A
SCHEMBL29052629 0.79 SCN9A (0.53) HDAC8
SCHEMBL24521600 0.79 SCN9A (0.53) HDAC8
SCHEMBL20380317 0.74 LMNA (0.59) EPHX2POLBALDH1A1TAOK1TAOK3
SCHEMBL24521598 0.73 CYP3A4 (0.58) EPHX2POLBKMT2AMEN1TAOK1
SCHEMBL24521599 0.73 MEN1 (0.59) EPHX2ALDH1A1KMT2AMEN1TAOK1
SCHEMBL23135875 0.72 TAOK1 (0.53) EPHX2ALDH1A1KMT2AMEN1TAOK1
SCHEMBL29562370 0.71 ELANE (0.57) L3MBTL1LMNA

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-4015501-A1 N-BENZYL-ALPHA-AMINOAMIDES AS ANAPHASE-PROMOTING COMPLEX/CYCLOSOME (APC/C) INHIBITORS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2022-06-22 EP disclosed