SCHEMBL7303956

SCHEMBL7303956

NC(=NC(=O)[C@@H]1CCCN1C(=O)COc1ccccc1)N(CCC[C@H](N)C=O)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 9/20 0.42
CPT1A P50416 9/20 0.42
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
ACE P12821 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.36
KLK7 P49862 1/20 0.36
CPT1B Q92523 1/20 0.35
HDAC1 Q13547 1/20 0.35
CTRB1 P17538 1/20 0.35

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
SCHEMBL7297128 0.91 CPT2 (0.44) CPT2CPT1ASPHK2SPHK1ACE
SCHEMBL7304579 0.89 SPHK2 (0.43) SPHK2SPHK1F2PLGACE
SCHEMBL7302617 0.85 ACE (0.45) F2ACE
SCHEMBL7298264 0.84 ACE (0.45) F2ACE
SCHEMBL7296963 0.82 ACE (0.40) SPHK2SPHK1ACEKMT2AKLK7
SCHEMBL7302798 0.79 SPHK2 (0.44) SPHK2SPHK1ACEKMT2AKLK7
SCHEMBL7302058 0.76 KLK7 (0.45) F2KDM4ELMNAKMT2AKLK7
SCHEMBL7298606 0.76 FKBP4 (0.41)
SCHEMBL7338057 0.76 ACE (0.38) F2ACEKMT2AKLK7
SCHEMBL7324515 0.76 ACE (0.46) F2ACE

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
EP-0526877-A2 Peptide aldehydes as antithrombotic agents Bristol-Myers Squibb Company (US) 1993-02-10 EP disclosed