SCHEMBL22798345

SCHEMBL22798345

NC(C(=O)NC(CO)C(=O)O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.44
▸ ACE P12821 3/20 0.44
▸ CPA1 P15085 3/20 0.44
▸ ACE2 Q9BYF1 3/20 0.44
▸ TGFBR1 P36897 3/20 0.43
▸ GLS O94925 1/20 0.42
▸ DPP4 P27487 6/20 0.41
▸ CPB2 Q96IY4 2/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL22798344 1.00 MME (0.44) MMEACECPA1ACE2TGFBR1
SCHEMBL18620682 0.83 GLS (0.39) MMEGLSDPP4ALDH1A1
SCHEMBL14185381 0.82 MME (0.41) MMEACECPA1ACE2GLS
SCHEMBL29454463 0.79 FNTA (0.42) MMEACECPA1ACE2TGFBR1
SCHEMBL31679342 0.77 ACE (0.46) MMEACECPA1ACE2GLS
SCHEMBL16636376 0.75 ALDH1A1 (0.48) MMEACECPA1ACE2TGFBR1
SCHEMBL4958339 0.75 TGFBR1 (0.55) MMEACETGFBR1
SCHEMBL28996288 0.75 TGFBR1 (0.55) MMEACETGFBR1
SCHEMBL7353581 0.75 METAP2 (0.54) MMEACECPA1ACE2CPB2
SCHEMBL7357202 0.75 METAP2 (0.54) MMEACECPA1ACE2CPB2

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
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 — — EP disclosed
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