SCHEMBL8102049

SCHEMBL8102049

CC(C)C12CC3CC(CC(OC(=O)/C=C/C(=O)O)(C3)C1(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
HCAR2 Q8TDS4 3/20 0.36
ATM Q13315 1/20 0.32

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
SCHEMBL8102053 1.00 THRB (0.37) THRBCYP2C9HCAR2ATM
SCHEMBL8102051 0.81 THRB (0.37) THRBCYP2C9HCAR2ATM
SCHEMBL8102046 0.74 ALDH1A1 (0.31) THRB
SCHEMBL27533433 0.68 THRB (0.55) THRBCYP2C9HCAR2ATM
SCHEMBL9274205 0.68 THRB (0.55) THRBCYP2C9HCAR2ATM
SCHEMBL9274202 0.68 THRB (0.55) THRBCYP2C9HCAR2ATM
SCHEMBL7539563 0.67 THRB (0.37) THRBCYP2C9
SCHEMBL7539568 0.67 THRB (0.37) THRBCYP2C9
SCHEMBL8101420 0.66 THRB (0.41) THRBCYP2C9HCAR2ATM
SCHEMBL8101416 0.66 THRB (0.41) THRBCYP2C9HCAR2ATM

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-1006130-A1 Fumaric acid diester resin composition, cross-linked fumaric acid diester resin and process NOF CORPORATION (JP) 2000-06-07 EP disclosed