SCHEMBL4756301

SCHEMBL4756301

CCOC(Cc1ccccc1OC(C)OCc1ccccc1)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
PPARD Q03181 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
PSMB5 P28074 1/20 0.37
MIF P14174 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ACHE P22303 2/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL27541825 0.77 PPARA (0.50) PPARGPPARAPPARDMMEACE
SCHEMBL7804863 0.75 KDM4E (0.39) L3MBTL1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL28765229 0.74 POLB (0.46) PPARGPPARAMAPTCYP2C9CYP3A4
SCHEMBL28851016 0.74 PSMB5 (0.54) PPARGPPARAPPARDCYP2C9PSMB5
SCHEMBL28851015 0.74 PSMB5 (0.54) PPARGPPARAPPARDCYP2C9PSMB5
SCHEMBL27566624 0.73 MME (0.45) PPARGMMEACECPA1ACE2
SCHEMBL3369237 0.73 PPARA (0.54) PPARGPPARAPPARDL3MBTL1LMNA
SCHEMBL7191581 0.72 PPARA (0.73) PPARGPPARAPPARDL3MBTL1LMNA
SCHEMBL5364064 0.72 PPARA (0.73) PPARGPPARAPPARDL3MBTL1LMNA
SCHEMBL8496632 0.72 PSMB5 (0.55) L3MBTL1MAPTPSMB5CA2ALDH1A1

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-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed