SCHEMBL3087602

SCHEMBL3087602

CC(NC(=O)C(C)NC(=O)CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.40
FAAH O00519 2/20 0.39
LTA4H P09960 4/20 0.39
ANPEP P15144 1/20 0.39
ECE1 P42892 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
SCHEMBL31106917 1.00 MME (0.46) MMEACECPA1ACE2SMN1; SMN2
SCHEMBL29384229 1.00 MME (0.46) MMEACECPA1ACE2SMN1; SMN2
SCHEMBL3087607 1.00 MME (0.46) MMEACECPA1ACE2SMN1; SMN2
SCHEMBL10621114 1.00 MME (0.46) MMEACECPA1ACE2SMN1; SMN2
SCHEMBL30905102 1.00 MME (0.46) MMEACECPA1ACE2SMN1; SMN2
SCHEMBL24323603 1.00 MME (0.46) MMEACECPA1ACE2SMN1; SMN2
SCHEMBL31106850 1.00 MME (0.46) MMEACECPA1ACE2SMN1; SMN2
SCHEMBL30178287 1.00 MME (0.46) MMEACECPA1ACE2SMN1; SMN2
SCHEMBL3145911 0.92 SMN1; SMN2 (0.50) MMEACECPA1ACE2SMN1; SMN2
SCHEMBL783990 0.92 SMN1; SMN2 (0.50) MMEACECPA1ACE2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790025-B2 External gradient chromatofocusing CRYOBIOPHYSICA, INC. (US) 2010-09-07 US disclosed
US-20070144973-A1 External gradient chromatofocusing CRYOBIOPHYSICA, INC. (US) 2007-06-28 US disclosed
EP-1628729-A2 EXTERNAL GRADIENT CHROMATOFOCUSING Cryobiophysica, Inc. (US) 2006-03-01 EP disclosed
WO-2004103519-A2 EXTERNAL GRADIENT CHROMATOFOCUSING CRYOBIOPHYSICA, INC. (US) 2004-12-02 WO disclosed
US-4334972-A OF CHROMATOGRAPHY OR ELECTROPHORESIS PHARMACIA FINE CHEMICALS AB (SE) 1982-06-15 US disclosed