SCHEMBL6509064

SCHEMBL6509064

CC(C)(C)OC(=O)C(O)C1(C2CCCCC2)CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
EPHX1 P07099 3/20 0.33
PADI1 Q9ULC6 1/20 0.32
PADI4 Q9UM07 1/20 0.32
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6507225 0.71 GAA (0.40) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL6506626 0.71 EPHX1 (0.45) GAAEPHX1PADI1PADI4HDAC4
SCHEMBL6506867 0.70 EPHX1 (0.31) EPHX1
SCHEMBL412203 0.67 CPN1 (0.36) GAAEPHX1
SCHEMBL1414450 0.66 METAP2 (0.46) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL6651445 0.66 TSHR (0.31)
SCHEMBL28743831 0.66 GAA (0.35) GAAEPHX1
SCHEMBL6371579 0.65 KDM4E (0.32)
SCHEMBL20054555 0.65 CYP3A4 (0.44) GAAEPHX1
SCHEMBL5352180 0.65 KDM4E (0.33)

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-2005047253-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed