SCHEMBL7277748

SCHEMBL7277748

Cc1cc(O)c(O)cc1C[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.51
SCN9A Q15858 1/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
PTPN1 P18031 1/20 0.44
CTSS P25774 6/20 0.44
CTSK P43235 5/20 0.44
PPARA Q07869 6/20 0.44
PPARG P37231 5/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TACR1 P25103 1/20 0.42
PPARD Q03181 2/20 0.42
CTSL P07711 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
SCHEMBL7859251 0.85 ACE (0.52) ACESCN9AITGB3ITGA2BPTPN1
SCHEMBL7859254 0.85 ACE (0.52) ACESCN9AITGB3ITGA2BPTPN1
SCHEMBL1748990 0.83 ACE (0.53) ACESCN9AITGB3ITGA2BPTPN1
SCHEMBL1748989 0.83 ACE (0.53) ACESCN9AITGB3ITGA2BPTPN1
SCHEMBL9304565 0.82 ACE (0.49) ACESCN9AITGB3ITGA2BPTPN1
SCHEMBL27207410 0.82 ACE (0.52) ACESCN9AITGB3ITGA2BPTPN1
SCHEMBL5153113 0.82 ACE (0.52) ACESCN9AITGB3ITGA2BPTPN1
SCHEMBL9501257 0.82 ACE (0.49) ACESCN9AITGB3ITGA2BPTPN1
SCHEMBL27203736 0.82 ACE (0.52) ACESCN9AITGB3ITGA2BPTPN1
SCHEMBL25183090 0.81 ACE (0.51) ACESCN9AITGB3ITGA2BPTPN1

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-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed