SCHEMBL12820516

SCHEMBL12820516

C=CCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
ACE P12821 9/20 0.40
REN P00797 4/20 0.39
PRCP P42785 1/20 0.38
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
LTA4H P09960 1/20 0.37
MAPT P10636 1/20 0.37
PEPD P12955 1/20 0.37
ALOX15 P16050 1/20 0.37
PTGS1 P23219 1/20 0.37
HTR2A P28223 1/20 0.37
PTGS2 P35354 1/20 0.37
HRH1 P35367 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACE2 Q9BYF1 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
SCHEMBL12771027 0.91 HDAC4 (0.41) HDAC4HDAC1ACEPRCPF2
SCHEMBL12820514 0.90 HDAC4 (0.41) HDAC4HDAC1ACEPRCPF2
SCHEMBL8225015 0.85 ACE (0.49) HDAC4HDAC1ACERENF2
SCHEMBL2812234 0.81 HDAC4 (0.51) HDAC4HDAC1LMNAMAPT
SCHEMBL1445009 0.81 HDAC4 (0.51) HDAC4HDAC1LMNAMAPT
SCHEMBL8222822 0.81 ACE (0.39) ACERENPRCPKDM4EF2
SCHEMBL4257798 0.80 HDAC4 (0.49) HDAC4HDAC1LMNA
SCHEMBL4257792 0.80 HDAC4 (0.49) HDAC4HDAC1LMNA
SCHEMBL8281588 0.80 HDAC4 (0.40) HDAC4HDAC1
SCHEMBL8293879 0.80 HDAC4 (0.40) HDAC4HDAC1

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
WO-2011034518-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-03-24 WO disclosed