SCHEMBL8101418

SCHEMBL8101418

CC(C)C12CC3CC(CC(C3)C1OC(=O)C=CC(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
THRB P10828 2/20 0.41
CYP2C9 P11712 1/20 0.41
HCAR2 Q8TDS4 4/20 0.40
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5917762 0.81 ATM (0.48) ATMTHRBCYP2C9HCAR2ALDH1A1
SCHEMBL5917727 0.78 ATM (0.44) ATMTHRBCYP2C9HCAR2ALDH1A1
SCHEMBL971472 0.74 TSHR (0.31) ALDH1A1
SCHEMBL8101416 0.69 THRB (0.41) ATMTHRBCYP2C9HCAR2ALDH1A1
SCHEMBL8101420 0.69 THRB (0.41) ATMTHRBCYP2C9HCAR2ALDH1A1
SCHEMBL14112065 0.69 ATM (0.57) ATMTHRBCYP2C9HCAR2
SCHEMBL27533435 0.69 ATM (0.57) ATMTHRBCYP2C9HCAR2
SCHEMBL5917760 0.67 THRB (0.45) ATMTHRBCYP2C9HCAR2ALDH1A1
SCHEMBL5917763 0.67 THRB (0.45) ATMTHRBCYP2C9HCAR2ALDH1A1
SCHEMBL7185948 0.67

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