SCHEMBL9178000

SCHEMBL9178000

CNN[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.52
NAALAD2 Q9Y3Q0 2/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MMP2 P08253 3/20 0.50
MMP9 P14780 2/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
FOLH1 Q04609 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
SCHEMBL9178006 1.00 MME (0.54) MMEL3MBTL1NPSR1CYP1A2NAALAD2
SCHEMBL157547 0.88 MME (0.61) MMEL3MBTL1NPSR1CYP1A2NAALAD2
SCHEMBL5389540 0.85 MME (0.57) MMEL3MBTL1NPSR1CYP1A2NAALAD2
SCHEMBL161255 0.85 MME (0.57) MMEL3MBTL1NPSR1CYP1A2NAALAD2
SCHEMBL38480 0.85 MME (0.57) MMEL3MBTL1NPSR1CYP1A2NAALAD2
SCHEMBL7937827 0.85 MME (0.57) MMEL3MBTL1NPSR1CYP1A2NAALAD2
SCHEMBL38479 0.85 MME (0.57) MMEL3MBTL1NPSR1CYP1A2NAALAD2
SCHEMBL1505867 0.84 FOLH1 (0.43) MMEL3MBTL1ACECPA1ACE2
SCHEMBL8823249 0.84 MME (0.54) MMEL3MBTL1NPSR1NAALAD2LMNA
SCHEMBL2780445 0.84 LMNA (0.54) MMEL3MBTL1NPSR1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013165554-A1 METHODS AND COMPOSITIONS FOR MODULATING G-ALPHA-Q SIGNALING THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-11-07 WO disclosed
CN-1202174-A Peptide derivatives DAIICHI SEIYAKU CO (JP) 1998-12-16 CN disclosed
EP-0662134-A1 POLYPEPTIDES INVOLVED IN STREPTOGRAMIN BIOSYNTHESIS, NUCLEOTIDE SEQUENCES CODING FOR SAID POLYPEPTIDES AND USE THEREOF Aventis Pharma S.A. (FR) 1995-07-12 EP disclosed
WO-1994008014-A1 POLYPEPTIDES INVOLVED IN STREPTOGRAMIN BIOSYNTHESIS, NUCLEOTIDE SEQUENCES CODING FOR SAID POLYPEPTIDES AND USE THEREOF RHONE-POULENC RORER S.A. (FR) 1994-04-14 WO disclosed