SCHEMBL28211892

SCHEMBL28211892

C=C(CC)C(=O)OCC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CACNA1B Q00975 3/20 0.45
IDO1 P14902 2/20 0.45
PAM P19021 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.42
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL450948 0.88 MMP1 (0.47) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL75625 0.84 CACNA1B (0.50) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL3468078 0.84 CACNA1B (0.50) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL75626 0.84 CACNA1B (0.50) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL9762368 0.84 IDO1 (0.57) MMP1MMP2MMP9MMP12ALDH1A1
Methacrylic Acid SCHEMBL20574356 0.82 CACNA1B (0.48) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL5547303 0.81 MMP1 (0.49) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL7931706 0.81 PAM (0.42) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL23882016 0.81 MMP1 (0.51) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL20539359 0.81 MMP1 (0.51) MMP1MMP2MMP9MMP12ALDH1A1

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
CN-103819677-B Cage-type silsesquioxane compound, hardening resin composition and resin cured matter using it 新日铁住金化学株式会社 2018-04-10 CN disclosed