SCHEMBL29316093

SCHEMBL29316093

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.50
MMP3 P08254 6/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
THRB P10828 2/20 0.43
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MGLL Q99685 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL29321516 0.93 MMP2 (0.48) MMP2MMP3MMP1MMP9MMP13
SCHEMBL29316135 0.93 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP13
SCHEMBL4321296 0.91 MMP3 (0.51) MMP2MMP3MMP1MMP9MMP13
SCHEMBL29316140 0.90 MMP3 (0.50) MMP2MMP3MMP1MMP9MMP13
SCHEMBL29316097 0.90 HDAC1 (0.52) MMP2MMP3MMP1MMP9MMP13
SCHEMBL29321542 0.90 HDAC1 (0.52) MMP2MMP3MMP1MMP9MMP13
SCHEMBL29321823 0.90 MMP2 (0.49) MMP2MMP3MMP1MMP9MMP13
SCHEMBL29321844 0.89 HDAC1 (0.51) MMP2MMP3MMP1MMP9MMP13
SCHEMBL29321812 0.88 MMP2 (0.48) MMP2MMP3MMP1MMP9MMP13
SCHEMBL29321770 0.86 MMP2 (0.48) MMP2MMP3MMP1MMP9MMP13

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