SCHEMBL29315967

SCHEMBL29315967

C=CC(=O)OCCOC(=O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.59
PDE6D O43924 1/20 0.44
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP3 P08254 1/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39

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
SCHEMBL29315964 0.94 THRB (0.52) THRBPDE6DTSHRALDH1A1TP53
SCHEMBL29315969 0.93 TSHR (0.51) THRBPDE6DTSHRALDH1A1HPGD
SCHEMBL14984774 0.92 THRB (0.51) THRBPDE6DTSHRALDH1A1TP53
SCHEMBL14984471 0.92 THRB (0.51) THRBPDE6DTSHRALDH1A1TP53
SCHEMBL8961917 0.91 THRB (0.71) THRBPDE6DTSHRALDH1A1TP53
SCHEMBL13899190 0.89 THRB (0.69) THRBPDE6DTSHRALDH1A1TP53
SCHEMBL16379501 0.87 THRB (0.46) THRBPDE6DTSHRALDH1A1HPGD
SCHEMBL19050347 0.86 THRB (0.56) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL8961853 0.85 THRB (0.62) THRBPDE6DTSHRALDH1A1TP53
SCHEMBL8961894 0.85 THRB (0.62) THRBPDE6DTSHRALDH1A1TP53

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-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed