SCHEMBL8091095

SCHEMBL8091095

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.58
PPARG P37231 15/20 0.54
PPARA Q07869 14/20 0.54
PPARD Q03181 3/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
CYP1A2 P05177 1/20 0.48

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
SCHEMBL12141661 1.00 SRR (0.58) SRRPPARGPPARAPPARDALPI
SCHEMBL9628212 0.86 SRR (0.70) SRRPPARGPPARAPPARD
SCHEMBL2517934 0.86 SRR (0.70) SRRPPARGPPARAPPARD
SCHEMBL16877217 0.86 SRR (0.70) SRRPPARGPPARAPPARD
SCHEMBL16744002 0.86 PPARA (0.64) PPARGPPARAPPARDPTGS1
SCHEMBL28209740 0.85 SRR (0.55) SRRPPARGPPARAALPIPKM
SCHEMBL16743963 0.83 ESR1 (0.56) PPARGPPARAPPARDSLC7A5
SCHEMBL4780746 0.83 SRR (0.61) SRRPPARGPPARAPPARDALPI
Hydrochloric Acid SCHEMBL5754335 0.83 SRR (0.61) SRRPPARGPPARAPPARDALPI
SCHEMBL7150900 0.83 SRR (0.56) SRRPPARGPPARAPPARD

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
WO-2008134398-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed