SCHEMBL20407728

SCHEMBL20407728

C=C(CO)C(=O)OCCOc1cc(OCCOC)cc(-c2ccc(C3CCC(CCCCC(F)(F)F)CC3)cc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.41
▸ MMP3 P08254 6/20 0.41
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ MOGAT2 Q3SYC2 5/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ MGAT2 Q10469 2/20 0.31
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL19855430 0.97 MMP2 (0.37) MMP2MMP3MMP1MMP9MMP14
SCHEMBL20407414 0.92 MMP2 (0.42) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19855953 0.91 MMP2 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL20407647 0.90 MGAT2 (0.35) MMP2MMP3MOGAT2CYP2C9MGAT2
SCHEMBL19854410 0.88 MMP2 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL20313560 0.85 MMP2 (0.41) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19855363 0.85 MGAT2 (0.34) MOGAT2CYP2C9MGAT2
SCHEMBL20407568 0.85 MMP2 (0.32) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19854199 0.85 MMP2 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19855555 0.85 FFAR4 (0.34) MOGAT2CYP2C9MGAT2

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
EP-3351525-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-07-25 — — EP disclosed
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