SCHEMBL7608883

SCHEMBL7608883

CC(=O)Oc1cccc(CCCCCCCCO)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.55
CYP4A11 Q02928 2/20 0.55
PPARA Q07869 5/20 0.51
PPARG P37231 4/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ACHE P22303 4/20 0.47
PARP1 P09874 1/20 0.44

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
SCHEMBL4268393 0.98 CYP4F2 (0.56) CYP4F2CYP4A11PPARAPPARGHDAC1
SCHEMBL4268403 0.94 CYP3A4 (0.53) CYP4F2CYP4A11PPARAPPARGHDAC1
SCHEMBL14445676 0.88 PPARA (0.66) PPARAPPARGHDAC1HDAC6
SCHEMBL1517301 0.88 PPARA (0.66) PPARAPPARGHDAC1HDAC6
SCHEMBL1561685 0.87 CYP3A4 (0.56) CYP4F2CYP4A11CYP3A4LMNAMTNR1A
SCHEMBL27865972 0.86 PPARA (0.63) PPARAPPARGCYP3A4LMNAMTNR1A
SCHEMBL30631323 0.86 PPARA (0.63) PPARAPPARGCYP3A4LMNAMTNR1A
SCHEMBL30375077 0.85 PPARA (0.62) PPARAPPARGCYP3A4LMNA
SCHEMBL4279635 0.85 CYP3A4 (0.50) PPARAPPARGHDAC1HDAC6CYP3A4
SCHEMBL5280181 0.85 CYP3A4 (0.50) CYP4F2CYP4A11PPARAPPARGHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451957-B1 (Hydroxyalkyl)phenols, method for their preparation, and uses thereof GENERAL ELECTRIC COMPANY 2002-09-17 US disclosed
WO-2001046103-A1 (HYDROXYALKYL)PHENOLS, METHOD FOR THEIR PREPARATION, AND USES THEREOF GENERAL ELECTRIC COMPANY (US) 2001-06-28 WO disclosed