SCHEMBL7294595

SCHEMBL7294595

N=C(NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)CC(NC(=O)OCc1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
CASP1 P29466 2/20 0.43
F2 P00734 4/20 0.43
PLG P00747 3/20 0.43
ACE P12821 1/20 0.42
CTRB1 P17538 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
PRCP P42785 1/20 0.39
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
FAP Q12884 1/20 0.37
PREP P48147 4/20 0.37

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
SCHEMBL7294739 0.90 KMT2A (0.46) KMT2AACECTRB1ALDH1A1CYP3A4
SCHEMBL7295927 0.88 F2 (0.49) KMT2ACASP1F2PLGACE
SCHEMBL7302872 0.86 ACE (0.44) KMT2ACASP1F2PLGACE
SCHEMBL7297974 0.83 ACE (0.42) KMT2ACASP1F2PLGACE
SCHEMBL7304387 0.83 ACE (0.46) KMT2ACASP1F2PLGACE
SCHEMBL7298055 0.81 F2 (0.61) CASP1F2PLGCTRB1PRCP
SCHEMBL7296144 0.80 F2 (0.43) CASP1F2PLGACECTRB1
SCHEMBL7295597 0.80 F2 (0.48) CASP1F2PLGACECTRB1
SCHEMBL7393398 0.79 F2 (0.47) F2PLGDPP4DPP8DPP7
SCHEMBL7303446 0.78 TGM2 (0.48) KMT2ACASP1F2PLGALDH1A1

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