SCHEMBL28678530

SCHEMBL28678530

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(=O)OCc3ccc(C#Cc4ccccc4)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PTPN2 P17706 2/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL19024612 1.00 THRB (0.42) THRBTSHRHTTCYSLTR1MAPT
SCHEMBL28661059 0.97 THRB (0.42) THRBTSHRHTTCYSLTR1MAPT
SCHEMBL19024753 0.97 THRB (0.42) THRBTSHRHTTCYSLTR1MAPT
SCHEMBL12567532 0.95 THRB (0.45) THRBTSHRHTTCYSLTR1MAPT
SCHEMBL19040076 0.93 THRB (0.45) THRBTSHRHTTCYSLTR1MAPT
SCHEMBL8914125 0.92 HTT (0.40) THRBTSHRHTTMAPTTDP1
SCHEMBL8915738 0.92 HTT (0.40) THRBTSHRHTTMAPTTDP1
SCHEMBL8914045 0.92 HTT (0.40) THRBTSHRHTTMAPTTDP1
SCHEMBL8911984 0.92 HTT (0.40) THRBTSHRHTTMAPTTDP1
SCHEMBL8913468 0.92 HTT (0.40) THRBTSHRHTTMAPTTDP1

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
CN-106946709-B Polymerizable liquid crystal compound, composition for optical film, and optical film, compensation film, antireflection film and display device 三星电子株式会社 2021-11-12 — — CN disclosed
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