SCHEMBL7598508

SCHEMBL7598508

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 1/20 0.38
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
HCAR2 Q8TDS4 1/20 0.36
TERT O14746 3/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 2/20 0.36
HSD17B10 Q99714 2/20 0.36
FABP4 P15090 2/20 0.36
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
PTPN1 P18031 2/20 0.36
PPARD Q03181 2/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7598497 1.00 EPHX2 (0.39) EPHX2ALDH1A1PPARGPPARAHCAR2
SCHEMBL7598506 1.00 EPHX2 (0.39) EPHX2ALDH1A1PPARGPPARAHCAR2
SCHEMBL7603138 0.87 EPHX2 (0.38) EPHX2ALDH1A1PPARGPPARAHCAR2
SCHEMBL7603151 0.87 EPHX2 (0.38) EPHX2ALDH1A1PPARGPPARAHCAR2
SCHEMBL7603148 0.87 EPHX2 (0.38) EPHX2ALDH1A1PPARGPPARAHCAR2
SCHEMBL7603840 0.84 ALDH1A1 (0.47) ALDH1A1PPARGPPARABLMHSD17B10
SCHEMBL7603837 0.84 ALDH1A1 (0.47) ALDH1A1PPARGPPARABLMHSD17B10
SCHEMBL27138529 0.84 ALDH1A1 (0.47) ALDH1A1PPARGPPARABLMHSD17B10
SCHEMBL7598503 0.81 P2RY10 (0.32) ALDH1A1LMNA
Valiloxybate SCHEMBL3730350 0.80 GABRP (0.42) ALDH1A1PPARGPPARABLMPPARD

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