SCHEMBL19854218

SCHEMBL19854218

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(C)CO)cc(-c2ccc(C3CCC(C4CCC(CCC)CC4)CC3)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL20313614 0.93 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20313557 0.91 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19854224 0.91 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19855340 0.88 ACACB (0.30) —
SCHEMBL19854693 0.88 ACACB (0.33) —
SCHEMBL20322630 0.87 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19854416 0.85 RAB9A (0.37) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19854219 0.84 RAB9A (0.37) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19855316 0.84 RAB9A (0.37) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19854685 0.84 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTPTGS2

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-3351525-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-07-25 — — EP disclosed
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO disclosed
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