SCHEMBL8214039

SCHEMBL8214039

CC(C)(C)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cccc(C2CCCC2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ATM Q13315 2/20 0.39
KMT2A Q03164 2/20 0.39
MME P08473 3/20 0.38
CPA1 P15085 3/20 0.38
ACE2 Q9BYF1 3/20 0.38
MEN1 O00255 1/20 0.38
CTSS P25774 3/20 0.37
CTSK P43235 3/20 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
SCHEMBL7261968 0.90 NAALAD2 (0.45) ACEHDAC3HDAC4HDAC1HDAC7
SCHEMBL7893068 0.89 HDAC3 (0.45) ACEHDAC3HDAC4HDAC1HDAC7
SCHEMBL7258341 0.89 HDAC3 (0.44) ACEHDAC3HDAC4HDAC1HDAC7
SCHEMBL7262993 0.88 NAALAD2 (0.45) ACEHDAC3HDAC4HDAC1HDAC7
SCHEMBL7258311 0.82 BCHE (0.44) ACECTSSCTSKCTSBCTSL
SCHEMBL7263044 0.82 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7257322 0.81 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7261630 0.81 BCHE (0.44) ACECTSSCTSKCTSBCTSL
SCHEMBL9234429 0.77 HDAC3 (0.39) ACEHDAC3HDAC4HDAC1HDAC7
SCHEMBL7900190 0.77 FOLH1 (0.41) ACEHDAC3HDAC4HDAC1HDAC7

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-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 US disclosed