SCHEMBL7301799

SCHEMBL7301799

O=CCO[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.59
PPARG P37231 17/20 0.51
PPARA Q07869 15/20 0.51
ACE P12821 1/20 0.50

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
SCHEMBL5322350 1.00 SRR (0.59) SRRPPARGPPARAACE
SCHEMBL16416739 0.87 SRR (0.51) SRRPPARGPPARA
SCHEMBL7331579 0.85 SRR (0.57) SRRPPARGPPARAACE
SCHEMBL6429518 0.80 SRR (0.65) SRRPPARGPPARA
SCHEMBL10798806 0.80 SRR (0.65) SRRPPARGPPARA
SCHEMBL3781159 0.80 SRR (0.65) SRRPPARGPPARA
SCHEMBL1670312 0.79 PPARA (0.69) SRRPPARGPPARA
SCHEMBL7394969 0.79 SRR (0.62) SRRPPARGPPARAACE
SCHEMBL9077889 0.79 SRR (0.62) SRRPPARGPPARAACE
SCHEMBL13925610 0.79 SRR (0.62) SRRPPARGPPARAACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 EP disclosed