SCHEMBL10952947

SCHEMBL10952947

CCCN[C@@H](C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
PGR P06401 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
FAAH O00519 1/20 0.39
LTA4H P09960 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10952953 1.00 MME (0.50) MMEACECPA1ACE2SCN1A
SCHEMBL5615746 0.89 FAAH (0.47) MMEACECPA1ACE2MAPT
SCHEMBL4979262 0.87 FAAH (0.46) MMEACECPA1ACE2FAAH
SCHEMBL1574127 0.87 FAAH (0.46) MMEACECPA1ACE2FAAH
SCHEMBL4979248 0.87 FAAH (0.46) MMEACECPA1ACE2FAAH
SCHEMBL28978102 0.87 MME (0.46) MMEACECPA1ACE2SCN1A
SCHEMBL28978112 0.87 MME (0.46) MMEACECPA1ACE2SCN1A
SCHEMBL21585650 0.85 FAAH (0.49) MMEACECPA1ACE2FAAH
SCHEMBL21585643 0.85 FAAH (0.49) MMEACECPA1ACE2FAAH
SCHEMBL2644360 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4554100-A ENZYME INHIBITORS SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1985-11-19 US disclosed