SCHEMBL7962584

SCHEMBL7962584

CCC(C)CC(=O)N(S)C1(C(=O)N[C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)O)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 12/20 0.49
MME P08473 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.40
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36

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
SCHEMBL7975856 0.88 ECE1 (0.52) ECE1MMEMEN1KMT2AL3MBTL1
SCHEMBL7962316 0.88 ECE1 (0.48) ECE1MMEMEN1KMT2AITGB1
SCHEMBL7962528 0.76 ECE1 (0.54) ECE1MMEACECPA1ACE2
SCHEMBL7962587 0.76 ECE1 (0.54) ECE1MMEACECPA1ACE2
SCHEMBL7973787 0.75 ECE1 (0.63) ECE1MMEMEN1KMT2A
SCHEMBL7973783 0.75 ECE1 (0.63) ECE1MMEMEN1KMT2A
SCHEMBL7975859 0.74 ECE1 (0.49) ECE1MMEMEN1KMT2A
SCHEMBL7975857 0.73 ECE1 (0.57) ECE1MMEMEN1KMT2AACE
SCHEMBL7962318 0.73 ECE1 (0.56) ECE1MMEMEN1KMT2A
SCHEMBL7973922 0.73 ECE1 (0.67) ECE1MMEMEN1KMT2A

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
WO-2001077095-A2 DERIVATIVES OF ALPHA-MERCAPTOACETAMIDE NOVARTIS AG (CH) 2001-10-18 WO claimed
WO-2001077095-A2 DERIVATIVES OF ALPHA-MERCAPTOACETAMIDE NOVARTIS AG (CH) 2001-10-18 WO disclosed