SCHEMBL103540

SCHEMBL103540

OOC(CCc1ccc(CC2CO2)cc1)c1ccc(-c2ccc(CC3CO3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.37
MMP12 P39900 2/20 0.30
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 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
SCHEMBL8893870 0.76 MEN1 (0.35) MGLL
SCHEMBL708540 0.74 MGLL (0.38) MGLL
SCHEMBL14063010 0.74 MGLL (0.38) MGLL
SCHEMBL102857 0.72 MMP12 (0.35) MMP12MMP2MMP9MMP13MMP14
SCHEMBL104016 0.71 MMP12 (0.40) MMP12MMP2MMP9MMP13MMP14
SCHEMBL9843341 0.71 MEN1 (0.39) MGLL
SCHEMBL8894837 0.69 TDP1 (0.33)
SCHEMBL8893153 0.69 TDP1 (0.31)
SCHEMBL131333 0.69 TDP1 (0.38) MGLL
SCHEMBL7765145 0.68 MGLL (0.48) MGLL

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-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed