SCHEMBL20407639

SCHEMBL20407639

C=C(CO)CCOc1cc(OCCOC)cc(-c2ccc(C3CCC(CC/C=C/C)CC3)cc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.40
▸ MMP3 P08254 6/20 0.40
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ S1PR1 P21453 4/20 0.30
▸ SGPL1 O95470 3/20 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
SCHEMBL20407538 0.90 MMP2 (0.33) MMP2MMP3S1PR1SGPL1
SCHEMBL20407366 0.84 MMP2 (0.40) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19854638 0.84 MMP2 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL20407349 0.83 MMP2 (0.37) MMP2MMP3MMP1MMP9MMP14
SCHEMBL20322672 0.79 MMP2 (0.36) MMP2MMP3MMP1MMP9MMP14
SCHEMBL20407443 0.79 OPRL1 (0.32) —
SCHEMBL20407437 0.78 MMP2 (0.41) MMP2MMP3MMP1MMP9MMP14
SCHEMBL20407616 0.78 MMP2 (0.34) MMP2MMP3
SCHEMBL20407331 0.76 FFAR4 (0.31) —
SCHEMBL19854661 0.75 CYP3A4 (0.32) —

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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