SCHEMBL19187256

SCHEMBL19187256

C=C(C)C(=O)OCCOc1ccc(-c2ccc(OCCOC(=O)C(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ THRB P10828 2/20 0.41
▸ RARB P10826 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HDAC3 O15379 3/20 0.36
▸ HDAC4 P56524 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC7 Q8WUI4 3/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ HDAC10 Q969S8 3/20 0.36
▸ HDAC11 Q96DB2 3/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC9 Q9UKV0 3/20 0.36
▸ HDAC5 Q9UQL6 3/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36

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
SCHEMBL4447276 0.90 POLB (0.61) POLBAPEX1HTTTDP1THRB
SCHEMBL24684595 0.89 POLB (0.50) POLBAPEX1HTTTDP1THRB
SCHEMBL27255246 0.88 POLB (0.42) POLBAPEX1HTTTDP1THRB
SCHEMBL19157428 0.88 POLB (0.42) POLBAPEX1HTTTDP1THRB
SCHEMBL21889394 0.87 POLB (0.58) POLBAPEX1HTTTDP1RARB
SCHEMBL454606 0.85 POLB (0.67) POLBAPEX1HTTTDP1THRB
SCHEMBL19624380 0.85 POLB (0.43) POLBAPEX1HTTTDP1THRB
SCHEMBL19914776 0.85 POLB (0.43) POLBAPEX1HTTTDP1THRB
SCHEMBL18308843 0.84 POLB (0.56) POLBAPEX1HTTTDP1THRB
SCHEMBL1494215 0.84 POLB (0.56) POLBAPEX1HTTTDP1THRB

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-3199558-A1 COMPOUND HAVING FOUR POLYMERIZABLE GROUPS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2017-08-02 — — EP disclosed
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