SCHEMBL16800415

SCHEMBL16800415

CCNC(=O)CCCC(=O)N[C@@H](CCCCNC(=O)CSC(C)=O)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 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
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NOD1 Q9Y239 3/20 0.42
GLP1R P43220 8/20 0.41
FOLH1 Q04609 1/20 0.40
ALB P02768 3/20 0.39
EPHX2 P34913 1/20 0.38
POLB P06746 1/20 0.36
TLR2 O60603 1/20 0.36
CAPN1 P07384 1/20 0.36

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
SCHEMBL15463082 0.84 NOD1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13301142 0.80 FOLH1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15463083 0.79 FOLH1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13214006 0.78 NOD1 (0.61) NOD1GLP1REPHX2
SCHEMBL13214013 0.78 NOD1 (0.61) NOD1GLP1REPHX2
SCHEMBL13214020 0.77 ALB (0.51) NOD1GLP1RFOLH1ALB
SCHEMBL17483648 0.76 KISS1R (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16644768 0.76 NOD1 (0.49) NOD1GLP1RALBEPHX2TLR2
SCHEMBL23463268 0.76 ALB (0.43) NOD1GLP1RFOLH1ALB
SCHEMBL12060995 0.76 NAAA (0.53) NOD1GLP1RFOLH1ALBTLR2

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-9056138-B2 Multivalent constructs for therapeutic and diagnostic applications BRACCO SUISSE SA (CH) 2015-06-16 US disclosed
US-9056138-B2 Multivalent constructs for therapeutic and diagnostic applications BRACCO SUISSE SA (CH) 2015-06-16 US disclosed