SCHEMBL7765135

SCHEMBL7765135

O=C(O)[C@@H](O)[C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)NC(CO)Cc1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.37
ACE P12821 4/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
MMP2 P08253 4/20 0.35
MMP3 P08254 3/20 0.35
MAPK1 P28482 2/20 0.35
ROCK2 O75116 1/20 0.35
RPS6KA5 O75582 1/20 0.35
RPS6KA4 O75676 1/20 0.35
PRKACA P17612 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
IRAK1 P51617 1/20 0.35
PRKX P51817 1/20 0.35
ROCK1 Q13464 1/20 0.35
PRKG1 Q13976 1/20 0.35
PKN2 Q16513 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
SGK2 Q9HBY8 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
SCHEMBL7765130 1.00 MME (0.37) MMEACECPA1ACE2MMP2
SCHEMBL7765144 1.00 MME (0.37) MMEACECPA1ACE2MMP2
SCHEMBL7762298 0.85 MMP2 (0.45) MMP2MMP3
SCHEMBL7762293 0.85 MMP2 (0.45) MMP2MMP3
SCHEMBL7762305 0.85 MMP2 (0.45) MMP2MMP3
SCHEMBL6279996 0.83 MMP2 (0.53) MMP2MMP3
SCHEMBL6279998 0.83 MMP2 (0.53) MMP2MMP3
SCHEMBL7765040 0.78 MMP12 (0.34) MMEMMP2
SCHEMBL7765035 0.78 MMP12 (0.34) MMEMMP2
SCHEMBL7762291 0.77 MMP2 (0.41) MMEACECPA1ACE2MMP2

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-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed