SCHEMBL9545089

SCHEMBL9545089

CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCC#N)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
EPOR P19235 2/20 0.39
KDM4A O75164 1/20 0.38
HIF1A Q16665 1/20 0.38
TET2 Q6N021 1/20 0.38
DOHH Q9BU89 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL9437255 0.92 EPOR (0.46) HDAC1HDAC2HDAC8HDAC6HPGD
SCHEMBL9437259 0.90 HDAC1 (0.40) HDAC1HDAC2HDAC8HDAC6HPGD
SCHEMBL9544416 0.90 HDAC1 (0.40) HDAC1HDAC2HDAC8HDAC6HPGD
SCHEMBL9437260 0.88 L3MBTL1 (0.56) HDAC1HDAC2HDAC8HDAC6SIRT2
SCHEMBL9437252 0.88 L3MBTL1 (0.56) HDAC1HDAC2HDAC8HDAC6SIRT2
SCHEMBL9326236 0.88 L3MBTL1 (0.44) L3MBTL1KDM4ATSHR
SCHEMBL9775278 0.87 KDM4A (0.52) HDAC1HDAC2HDAC8HDAC6HPGD
SCHEMBL9325011 0.87 L3MBTL1 (0.42) L3MBTL1KDM4ATSHR
SCHEMBL9775369 0.84 L3MBTL1 (0.47) L3MBTL1TSHR
SCHEMBL8863624 0.84 L3MBTL1 (0.49) HDAC1HDAC2HDAC8HDAC6L3MBTL1

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
US-5254724-A Method for synthesis of desferrioxamine B, analogs and homologs thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1993-10-19 US disclosed
WO-1993009088-A1 IMPROVED METHOD FOR SYNTHESIS OF DESFERRIOXAMINE B, ANALOGS AND HOMOLOGS THEREOF UNIVERSITY OF FLORIDA (US) 1993-05-13 WO disclosed