SCHEMBL7603151

SCHEMBL7603151

CC[C@H](C)[C@H](N)C(=O)OCCC=CC(=O)O.CC[C@H](C)[C@H](N)C(=O)OCCCCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
HCAR2 Q8TDS4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
IARS1 P41252 1/20 0.34
TERT O14746 2/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7603148 1.00 EPHX2 (0.38) EPHX2PPARGPPARAHCAR2ALDH1A1
SCHEMBL7603138 1.00 EPHX2 (0.38) EPHX2PPARGPPARAHCAR2ALDH1A1
SCHEMBL7598497 0.87 EPHX2 (0.39) EPHX2PPARGPPARAHCAR2ALDH1A1
SCHEMBL7598508 0.87 EPHX2 (0.39) EPHX2PPARGPPARAHCAR2ALDH1A1
SCHEMBL7598506 0.87 EPHX2 (0.39) EPHX2PPARGPPARAHCAR2ALDH1A1
SCHEMBL7604079 0.85 ALDH1A1 (0.47) EPHX2PPARGPPARAALDH1A1LMNA
SCHEMBL7604073 0.85 ALDH1A1 (0.47) EPHX2PPARGPPARAALDH1A1LMNA
SCHEMBL7599881 0.82 ALDH1A1 (0.42) PPARGPPARAALDH1A1IARS1ALOX15
SCHEMBL7599884 0.82 ALDH1A1 (0.42) PPARGPPARAALDH1A1IARS1ALOX15
SCHEMBL7603141 0.81 IARS1 (0.32) IARS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002503673-A 2002-02-05 JP claimed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP claimed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO claimed