SCHEMBL29322190

SCHEMBL29322190

C=C(C)C(=O)OCCCCOC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP2 P08253 7/20 0.46
MMP3 P08254 6/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MGLL Q99685 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL29316183 0.99 POLB (0.52) POLBAPEX1HTTTDP1MMP2
SCHEMBL29322204 0.99 POLB (0.52) POLBAPEX1HTTTDP1MMP2
SCHEMBL29316176 0.98 POLB (0.47) POLBAPEX1HTTTDP1MMP2
SCHEMBL29322166 0.95 MMP2 (0.48) POLBAPEX1HTTTDP1MMP2
SCHEMBL14275377 0.90 POLB (0.61) POLBAPEX1HTTTDP1MMP2
SCHEMBL2468868 0.89 HTT (0.64) POLBAPEX1HTTTDP1MMP2
SCHEMBL953146 0.89 HTT (0.64) POLBAPEX1HTTTDP1MMP2
SCHEMBL29316155 0.88 MMP3 (0.50) POLBAPEX1HTTTDP1MMP2
SCHEMBL29316150 0.87 POLB (0.58) POLBAPEX1HTTTDP1MMP2
SCHEMBL4466236 0.87 HDAC1 (0.51) POLBAPEX1HTTTDP1MMP2

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