SCHEMBL9489174

SCHEMBL9489174

COc1cc(NC(=O)C2CCCN2C(=O)CNC(=O)C(C)NC(=O)C2CCCN2C(=O)c2ccccc2)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MMP3 P08254 2/20 0.46
ROCK2 O75116 1/20 0.44
MMP1 P03956 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNQ1 P51787 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CNR2 P34972 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TACR1 P25103 1/20 0.40
FAP Q12884 1/20 0.39
MAPK1 P28482 2/20 0.39
PREP P48147 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9489177 1.00 ALDH1A1 (0.47) ALDH1A1MMP3ROCK2MMP1MEN1
SCHEMBL4889705 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPSR1CYP2C9
SCHEMBL9488428 0.76 NPSR1 (0.58) ALDH1A1MEN1KMT2ANPSR1
SCHEMBL10589256 0.74 MMP3 (0.53) ALDH1A1MMP3MMP1KCNQ1NPSR1
SCHEMBL31437669 0.71 NTMT1 (0.50) ALDH1A1MMP3MMP1TACR1
SCHEMBL9489209 0.71 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ANPSR1CYP2C9
SCHEMBL9489213 0.71 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ANPSR1CYP2C9
SCHEMBL12518271 0.70 ACE (0.50) MMP3MMP1KCNQ1NPSR1CNR2
SCHEMBL29526818 0.70 ACE (0.72) FAPPREP
SCHEMBL9489896 0.70 PREP (0.56) ALDH1A1NPSR1CYP2C9CYP2C19FAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255341-B1 REAGENT FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed
US-5137811-A Method for diagnosing periodontal diseases with a substrate specific for aminopeptidase activity of periodontopathic bacteria SUNSTAR KABUSHIKI KAISHA (JP) 1992-08-11 US disclosed
EP-0255341-A2 Reagent for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1988-02-03 EP disclosed