SCHEMBL29322225

SCHEMBL29322225

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.48
MMP3 P08254 6/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HRH3 Q9Y5N1 5/20 0.42
HRH2 P25021 4/20 0.42
HRH1 P35367 4/20 0.42
MGLL Q99685 2/20 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
SCHEMBL29316189 0.98 MMP3 (0.49) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL29322248 0.97 HDAC1 (0.50) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL29316185 0.95 MMP2 (0.50) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL29321953 0.93 MMP2 (0.47) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL29316155 0.92 MMP3 (0.50) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL4466236 0.91 HDAC1 (0.51) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL29316158 0.91 HDAC1 (0.51) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL29321963 0.91 HDAC1 (0.51) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL29316152 0.91 MMP2 (0.49) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL29322212 0.90 MMP2 (0.49) MMP2MMP3HDAC1HDAC2MMP1

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