SCHEMBL29322248

SCHEMBL29322248

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
MMP3 P08254 5/20 0.48
MMP2 P08253 6/20 0.47
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HRH2 P25021 3/20 0.41
HRH1 P35367 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
MGLL Q99685 2/20 0.40
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC7 Q8WUI4 3/20 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
SCHEMBL29316189 0.99 MMP3 (0.49) HDAC1HDAC2MMP3MMP2POLB
SCHEMBL29322225 0.97 MMP2 (0.48) HDAC1HDAC2MMP3MMP2POLB
SCHEMBL4466236 0.94 HDAC1 (0.51) HDAC1HDAC2MMP3MMP2POLB
SCHEMBL29321963 0.94 HDAC1 (0.51) HDAC1HDAC2MMP3MMP2POLB
SCHEMBL29316158 0.94 HDAC1 (0.51) HDAC1HDAC2MMP3MMP2POLB
SCHEMBL29316185 0.94 MMP2 (0.50) HDAC1HDAC2MMP3MMP2POLB
SCHEMBL29316155 0.93 MMP3 (0.50) HDAC1HDAC2MMP3MMP2POLB
SCHEMBL29321953 0.92 MMP2 (0.47) HDAC1HDAC2MMP3MMP2POLB
SCHEMBL29316152 0.90 MMP2 (0.49) HDAC1HDAC2MMP3MMP2POLB
SCHEMBL29322212 0.89 MMP2 (0.49) HDAC1HDAC2MMP3MMP2POLB

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