SCHEMBL7326900

SCHEMBL7326900

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.57
ACE P12821 1/20 0.56
PPARG P37231 16/20 0.53
PPARA Q07869 13/20 0.53

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
SCHEMBL9665676 1.00 SRR (0.57) SRRACEPPARGPPARA
SCHEMBL10389915 0.84 ALDH1A1 (0.47) SRRPPARGPPARA
SCHEMBL9665207 0.84 ALDH1A1 (0.47) SRRPPARGPPARA
SCHEMBL27486488 0.82 SRR (0.56) SRRACEPPARGPPARA
SCHEMBL1486323 0.81 SRR (0.62) SRRACEPPARGPPARA
SCHEMBL2626716 0.81 SRR (0.62) SRRACEPPARGPPARA
SCHEMBL1486321 0.81 SRR (0.62) SRRACEPPARGPPARA
SCHEMBL9554844 0.81 ACE (0.61) SRRACEPPARGPPARA
SCHEMBL28216110 0.79 SRR (0.61) SRRACEPPARGPPARA
SCHEMBL28216109 0.79 SRR (0.61) SRRACEPPARGPPARA

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
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
EP-0396065-A1 Novel amino acid derivatives possessing renin-inhibitory activities Japan Tobacco Inc. (JP) 1990-11-07 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP disclosed