SCHEMBL8865631

SCHEMBL8865631

[CH2]C(CC(C)C)NC(=O)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.54
MMP3 P08254 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
CASP1 P29466 1/20 0.50
HPGD P15428 2/20 0.48
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
BACE1 P56817 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ANPEP P15144 1/20 0.46
DEGS1 O15121 1/20 0.44
GAA P10253 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44

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
SCHEMBL8865083 1.00 PLK1 (0.54) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL6244622 0.82 CASP1 (0.57) PLK1CASP1BACE1ANPEP
SCHEMBL6244616 0.82 CASP1 (0.57) PLK1CASP1BACE1ANPEP
SCHEMBL7459754 0.81 CAPN1 (0.54) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL7459752 0.81 PLK1 (0.51) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL8737627 0.80 PLK1 (0.66) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL24767558 0.78 MEN1 (0.67) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL1505526 0.77 HDAC8 (0.59) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL8865388 0.77 POLB (0.64) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL8865394 0.77 POLB (0.64) ALDH1A1L3MBTL1MEN1KMT2AGAA

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
US-5686469-A ANTIINFLAMMATORY AGENTS MILES INC. (US) 1997-11-11 US disclosed