SCHEMBL29316140

SCHEMBL29316140

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MMP2 P08253 7/20 0.49
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
THRB P10828 2/20 0.45
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
HRH2 P25021 3/20 0.40
HRH1 P35367 3/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MGLL Q99685 1/20 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
SCHEMBL29321844 0.99 HDAC1 (0.51) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL29321823 0.98 MMP2 (0.49) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL29316135 0.95 MMP2 (0.51) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL4321296 0.94 MMP3 (0.51) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL29316097 0.93 HDAC1 (0.52) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL29321542 0.93 HDAC1 (0.52) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL29321516 0.93 MMP2 (0.48) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL12963189 0.92 MMP2 (0.44) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL29316093 0.90 MMP2 (0.50) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL29321812 0.88 MMP2 (0.48) MMP3HDAC1HDAC2MMP2MMP1

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