SCHEMBL6565110

SCHEMBL6565110

CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)NC=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.53
MME P08473 4/20 0.52
PSMB5 P28074 5/20 0.51
ACE P12821 2/20 0.50
CPA1 P15085 2/20 0.50
ACE2 Q9BYF1 2/20 0.50
PSMB2 P49721 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
CTSK P43235 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
NPY4R P50391 1/20 0.48

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
SCHEMBL8727951 0.97 MME (0.54) GNPATMMEPSMB5ACECPA1
SCHEMBL1477244 0.97 MME (0.54) GNPATMMEPSMB5ACECPA1
SCHEMBL7033970 0.93 NPY4R (0.57) MMEACECPA1ACE2NPY1R
SCHEMBL8213821 0.92 NPY4R (0.56) MMEACENPY1RNPY2RNPY4R
SCHEMBL8213819 0.92 NPY4R (0.56) MMEACENPY1RNPY2RNPY4R
SCHEMBL9955558 0.90 MME (0.60) GNPATMMEACECPA1ACE2
SCHEMBL9955555 0.90 MME (0.60) GNPATMMEACECPA1ACE2
SCHEMBL413803 0.89 NPY4R (0.56) ACENPY1RNPY2RNPY4R
SCHEMBL413804 0.89 NPY4R (0.56) ACENPY1RNPY2RNPY4R
SCHEMBL29612429 0.88 NPY4R (0.60) GNPATMMEPSMB5NPY1RNPY2R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004112795-A1 LTB4 COMPOSITIONS FOR TREATING TRACT INFECTIONS LTB4 SWEDEN AB (SE) 2004-12-29 WO disclosed
EP-1401492-A1 LTB4 AS VACCINE ADJUVANT Virocell Inc. (CA) 2004-03-31 EP disclosed
WO-2003004054-A1 LTB4 AS VACCINE ADUVANT VIROCELL INC. (CA) 2003-01-16 WO disclosed