SCHEMBL7302501

SCHEMBL7302501

C[C@@H](C(=O)N=C(N)N(CCC[C@H](N)C=O)C(=O)OCc1ccccc1)N(C(=O)OCc1ccccc1)C(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.34
CTSB P07858 3/20 0.33
KISS1R Q969F8 1/20 0.33
SLC15A1 P46059 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
CCR6 P51684 1/20 0.32
PAX8 Q06710 1/20 0.32
ABCB1 P08183 1/20 0.31

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
SCHEMBL7304357 0.91 SLC15A1 (0.36) CTSLKISS1RSLC15A1MMP8MMP14
SCHEMBL7303916 0.72 CTSL (0.52) CTSLCTSB
SCHEMBL8583695 0.71 SLC15A1 (0.45) CTSBSLC15A1CCR6PAX8ABCB1
SCHEMBL7301283 0.71 SLC15A1 (0.46) SLC15A1ABCB1
SCHEMBL9193091 0.71 SLC15A1 (0.46) SLC15A1ABCB1
SCHEMBL8583834 0.70 SLC15A1 (0.40) CTSLCTSBSLC15A1ABCB1
SCHEMBL7304579 0.70 SPHK2 (0.43)
SCHEMBL989683 0.69 CCR6 (0.45) CCR6PAX8
SCHEMBL7296919 0.69 LTA4H (0.38) CTSL
SCHEMBL7275440 0.69 SLC15A1 (0.47) CTSBSLC15A1ABCB1

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 claimed