SCHEMBL19854224

SCHEMBL19854224

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(C)CO)cc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)c(CC)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ SRD5A2 P31213 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
SCHEMBL20313613 0.94 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTFFAR4
SCHEMBL19854218 0.91 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL20322938 0.89 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTFFAR4
SCHEMBL20313563 0.87 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTFFAR4
SCHEMBL19855954 0.87 — —
SCHEMBL20313557 0.86 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19855551 0.86 FFAR4 (0.34) CYP2C9ALDH1A1LMNAMAPTFFAR4
SCHEMBL20407537 0.85 — —
SCHEMBL19855556 0.85 FFAR4 (0.31) FFAR4
SCHEMBL20407707 0.84 LNPEP (0.31) —

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
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO disclosed
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