SCHEMBL11225841

SCHEMBL11225841

O=C(CCC(=O)N1CCC[C@H]1C(=O)O)c1ccc(Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
ACE P12821 9/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ACE2 Q9BYF1 1/20 0.43
GSK3B P49841 1/20 0.42
PREP P48147 1/20 0.42
FAP Q12884 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL11221980 0.85 ACE (0.47) ACEL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL6290811 0.83 L3MBTL1 (0.57) MMP8MMP12MMP13L3MBTL1ALDH1A1
SCHEMBL6290809 0.83 L3MBTL1 (0.57) MMP8MMP12MMP13L3MBTL1ALDH1A1
SCHEMBL11226820 0.79 ACE (0.58) MMP8MMP12MMP13ACEACE2
SCHEMBL11219531 0.79 MMP8 (0.45) MMP8MMP12MMP13ACEL3MBTL1
SCHEMBL11218699 0.79 ACE (0.58) MMP8MMP12MMP13ACEACE2
SCHEMBL11226816 0.79 ACE (0.58) MMP8MMP12MMP13ACEACE2
SCHEMBL11218694 0.79 ACE (0.58) MMP8MMP12MMP13ACEACE2
SCHEMBL11230999 0.79 ACE (0.54) ACEL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL11155524 0.79 HRH3 (0.55) ACEACE2PREPFAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4342690-A HHYPOTENSIVE AGE TS AMERICAN CYANAMID COMPANY (US) 1982-08-03 US disclosed
US-4342689-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1982-08-03 US disclosed
US-4342691-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1982-08-03 US disclosed
US-4299769-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1981-11-10 US disclosed