SCHEMBL29316165

SCHEMBL29316165

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
EGLN1 Q9GZT9 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
NAMPT P43490 1/20 0.46
TRPA1 O75762 1/20 0.44
DRD3 P35462 4/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
PPARA Q07869 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL29322089 0.99 POLB (0.49) POLBAPEX1HTTTDP1CD274
SCHEMBL29316172 0.99 POLB (0.49) POLBAPEX1HTTTDP1CD274
SCHEMBL29322071 0.97 ALDH1A1 (0.48) POLBAPEX1HTTTDP1CD274
SCHEMBL29316162 0.92 TRPA1 (0.52) POLBAPEX1HTTTDP1CD274
SCHEMBL29316034 0.86 DRD2 (0.57) POLBAPEX1HTTTDP1DRD3
SCHEMBL29316036 0.85 DRD2 (0.56) POLBAPEX1HTTTDP1DRD3
SCHEMBL29316035 0.85 DRD2 (0.56) POLBAPEX1HTTTDP1DRD3
SCHEMBL29316160 0.84 TDP1 (0.52) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL29322031 0.83 TDP1 (0.54) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL29316163 0.83 TDP1 (0.54) POLBAPEX1HTTTDP1ALDH1A1

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