SCHEMBL29316157

SCHEMBL29316157

C=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.44
MMP2 P08253 5/20 0.44
MMP3 P08254 4/20 0.44
TSHR P16473 1/20 0.43
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
THRB P10828 1/20 0.40
GSK3B P49841 1/20 0.39
CA1 P00915 1/20 0.38

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
SCHEMBL13756115 0.96 TDP1 (0.51) TDP1L3MBTL1ALDH1A1MAPTADRB2
SCHEMBL29322010 0.95 TDP1 (0.49) TDP1L3MBTL1ALDH1A1MAPTADRB2
SCHEMBL29316160 0.95 TDP1 (0.52) TDP1L3MBTL1ALDH1A1MAPTADRB2
SCHEMBL29316163 0.94 TDP1 (0.54) TDP1L3MBTL1ALDH1A1MAPTADRB2
SCHEMBL29322031 0.94 TDP1 (0.54) TDP1L3MBTL1ALDH1A1MAPTADRB2
SCHEMBL16351937 0.89 TDP1 (0.50) TDP1ALDH1A1MAPTPOLBAPEX1
SCHEMBL16351931 0.89 TDP1 (0.50) TDP1ALDH1A1MAPTPOLBAPEX1
SCHEMBL8820401 0.87 MAPT (0.55) TDP1L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL7578689 0.85 MAPT (0.58) TDP1ALDH1A1MAPTPOLBAPEX1
SCHEMBL29316145 0.85 MMP13 (0.46) TDP1ALDH1A1MAPTPOLBAPEX1

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