SCHEMBL21115723

SCHEMBL21115723

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(C)CC3)cc2C)cc(CCCOC(=O)C(=C)C)c1OCCC(CO)CO

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 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
SCHEMBL21115554 0.95 FFAR4 (0.30)
SCHEMBL20288547 0.92
SCHEMBL21115963 0.90
SCHEMBL21097829 0.90 FFAR4 (0.34)
SCHEMBL21115604 0.89 CNR1 (0.35) CA1CA2
SCHEMBL21098604 0.89 CNR1 (0.35) CA1CA2
SCHEMBL21097837 0.89 FASN (0.36)
SCHEMBL21097798 0.89 CNR1 (0.32)
SCHEMBL24180766 0.89
SCHEMBL21097830 0.88 FFAR4 (0.32) CA1CA2

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
EP-3502210-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-09-09 EP disclosed
EP-3502210-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2019-06-26 EP disclosed