SCHEMBL18123719

SCHEMBL18123719

CC(C)(C)OC(=O)NCCCCCC(=O)NCCCCC(C(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
FOLH1 Q04609 1/20 0.43
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3402800 0.84 MEN1 (0.51) MEN1KMT2AGAATDP1FOLH1
SCHEMBL180974 0.82 HDAC3 (0.48) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL17254414 0.78 MEN1 (0.55) MEN1KMT2AGAATDP1FOLH1
SCHEMBL3474501 0.78 TDP1 (0.47) HDAC8CYP3A4TDP1HPGDHTT
SCHEMBL22402873 0.78 TDP1 (0.47) HDAC8CYP3A4TDP1HPGDHTT
SCHEMBL7207224 0.77 TDP1 (0.69) MEN1KMT2AGAAHDAC8CYP3A4
SCHEMBL31307530 0.76 KMT2A (0.43) MEN1KMT2AGAATDP1
SCHEMBL18466946 0.76 NR2F2 (0.40) MEN1KMT2AGAAHDAC1HDAC8
SCHEMBL20122339 0.76 MEN1 (0.55) MEN1KMT2AGAAHDAC1HDAC8
SCHEMBL18145560 0.76 FOLH1 (0.46) MEN1KMT2AGAATDP1FOLH1

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-2942351-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 EP disclosed