SCHEMBL8823249

SCHEMBL8823249

CCC(CC)NNC(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.54
ACE P12821 3/20 0.54
CPA1 P15085 2/20 0.54
ACE2 Q9BYF1 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
MMP2 P08253 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.48

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
SCHEMBL157547 0.88 MME (0.61) MMEACECPA1ACE2L3MBTL1
SCHEMBL9178006 0.84 MME (0.54) MMEACECPA1ACE2L3MBTL1
SCHEMBL9178000 0.84 MME (0.54) MMEACECPA1ACE2L3MBTL1
SCHEMBL2780445 0.83 LMNA (0.54) MMEACECPA1ACE2L3MBTL1
SCHEMBL2780446 0.83 LMNA (0.54) MMEACECPA1ACE2L3MBTL1
SCHEMBL30475520 0.81 ACE (0.59) MMEACECPA1ACE2LMNA
SCHEMBL2781702 0.81 MME (0.51) MMEACECPA1ACE2L3MBTL1
SCHEMBL29601051 0.81 LMNA (0.52) MMEACECPA1ACE2L3MBTL1
SCHEMBL2781698 0.81 MME (0.51) MMEACECPA1ACE2L3MBTL1
SCHEMBL30566993 0.81 MME (0.56) MMEACECPA1ACE2L3MBTL1

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-0770132-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS Aventis Pharma S.A. (FR) 1997-05-02 EP disclosed
WO-1996001901-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS RHONE-POULENC RORER S.A. (FR) 1996-01-25 WO disclosed