SCHEMBL3848147

SCHEMBL3848147

CC(C)(Oc1cccc(CCCCCO)c1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.81
PPARG P37231 11/20 0.81
CYP4F2 P78329 4/20 0.54
CYP4A11 Q02928 4/20 0.54
PPARD Q03181 2/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL17274732 1.00 PPARA (0.81) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL2434760 0.94 PPARG (0.76) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL10625909 0.89 PPARA (1.00) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL18803105 0.89 PPARA (1.00) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL3840661 0.89 PPARG (0.71) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL10628752 0.88 PPARA (0.97) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL10625874 0.88 PPARA (0.97) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL17274681 0.88 PPARA (0.79) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL18803106 0.87 PPARA (0.77) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL2439451 0.85 PPARA (0.74) PPARAPPARGCYP4F2CYP4A11PPARD

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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed