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SCHEMBL8101416

SCHEMBL8101416

CC(C)C1C2CC3CC(C2)CC1(OC(=O)/C=C/C(=O)O)C3

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HCAR2 Q8TDS4 4/20 0.40
▸ ATM Q13315 1/20 0.38
▸ 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
SCHEMBL8101420 1.00 THRB (0.41) THRBCYP2C9HCAR2ATMALDH1A1
SCHEMBL8101414 0.94 ALDH1A1 (0.35) THRBCYP2C9HCAR2ALDH1A1LMNA
SCHEMBL29618128 0.83 TSHR (0.31) ALDH1A1
SCHEMBL5917763 0.81 THRB (0.45) THRBCYP2C9HCAR2ATMALDH1A1
SCHEMBL5917760 0.81 THRB (0.45) THRBCYP2C9HCAR2ATMALDH1A1
SCHEMBL5917725 0.78 THRB (0.41) THRBCYP2C9HCAR2ATMALDH1A1
SCHEMBL5917728 0.78 THRB (0.41) THRBCYP2C9HCAR2ATMALDH1A1
SCHEMBL2112114 0.74 TSHR (0.31) ALDH1A1
SCHEMBL5917758 0.74 THRB (0.37) THRBCYP2C9ATMALDH1A1LMNA
SCHEMBL2741163 0.73 ALDH1A1 (0.36) ATMALDH1A1LMNASMN1; SMN2

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