SCHEMBL11435667

SCHEMBL11435667

CCCCCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 9/20 0.55
▸ ACE2 Q9BYF1 4/20 0.55
▸ REN P00797 4/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ F2 P00734 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PEPD P12955 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MEN1 O00255 1/20 0.47
▸ FAAH O00519 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL10728862 0.89 FAAH (0.49) ACEACE2RENFAAH
SCHEMBL10728795 0.89 FAAH (0.49) ACEACE2RENFAAH
SCHEMBL10728801 0.89 FAAH (0.49) ACEACE2RENFAAH
SCHEMBL10953051 0.86 ACE (0.64) ACEACE2RENKDM4EF2
SCHEMBL10733063 0.86 ACE (0.64) ACEACE2RENKDM4EF2
SCHEMBL11431773 0.85 ACE (0.61) ACEACE2RENKDM4EF2
SCHEMBL10734607 0.85 REN (0.66) ACEACE2RENKDM4EF2
SCHEMBL10954483 0.84 ACE (0.56) ACEACE2RENKDM4EF2
SCHEMBL10954475 0.84 ACE (0.56) ACEACE2RENKDM4EF2
SCHEMBL11518459 0.83 NPSR1 (0.47) ACEACE2RENMAPTMEN1

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
US-4187216-A ELASTASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 — — US claimed
US-4187216-A ELASTASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 — — US disclosed
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