SCHEMBL7401416

SCHEMBL7401416

NC1(C(=O)O)CCCCCC1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CASP3 P42574 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL524690 0.99 FABP5 (0.48) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL525363 0.95 FABP5 (0.49) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL17699252 0.91 FABP5 (0.50) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL4601031 0.87 FABP5 (0.45) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL289089 0.85 FABP5 (0.45) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL525667 0.85 FABP5 (0.51) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL12987564 0.83 FABP5 (0.44) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL12987541 0.83 FABP5 (0.44) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL4601669 0.83 FABP5 (0.50) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL4654507 0.82 CTSL (0.40) FABP5FABP7KMT2A

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
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed