SCHEMBL2780446

SCHEMBL2780446

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MME P08473 4/20 0.53
MMP2 P08253 5/20 0.53
MMP9 P14780 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADAMTS4 O75173 1/20 0.53
ACE P12821 3/20 0.52
CPA1 P15085 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MMP7 P09237 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL2780445 1.00 LMNA (0.54) LMNATDP1MMEMMP2MMP9
SCHEMBL157547 0.91 MME (0.61) MMEMMP2MMP9L3MBTL1ADAMTS4
SCHEMBL29601051 0.88 LMNA (0.52) LMNATDP1MMEMMP2MMP9
SCHEMBL2779696 0.86 ACE (0.46) LMNATDP1MMEACECPA1
SCHEMBL28286750 0.86 MME (0.62) LMNATDP1MMEMMP2MMP9
SCHEMBL25284015 0.86 MME (0.62) LMNATDP1MMEMMP2MMP9
SCHEMBL2779693 0.86 ACE (0.46) LMNATDP1MMEACECPA1
SCHEMBL30411925 0.85 LMNA (0.50) LMNATDP1MMEMMP2MMP9
Hydrochloric Acid SCHEMBL6775146 0.85 ACE (0.44) LMNATDP1MMEACECPA1
SCHEMBL9178000 0.84 MME (0.54) LMNATDP1MMEMMP2MMP9

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-2248901-A1 Streptogramines and method for preparing same by mutasynthesis Aventis Pharma S.A. (FR) 2010-11-10 EP disclosed
EP-0770132-B1 NEW STREPTOGRAMINES AVENTIS PHARMA SA (FR) 2010-09-08 EP disclosed