SCHEMBL21675417

SCHEMBL21675417

C=C(C)C(=O)OCCOC(O)c1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.42
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 3/20 0.34
▸ ACACB O00763 5/20 0.34
▸ ACACA Q13085 5/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32

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
SCHEMBL23507770 0.93 ELANE (0.40) ELANEPOLBAPEX1HTTTDP1
SCHEMBL19157467 0.89 ELANE (0.38) ELANEPOLBAPEX1HTTTDP1
SCHEMBL20259448 0.87 POLB (0.43) ELANEPOLBAPEX1HTTTDP1
SCHEMBL18500369 0.86 THRB (0.35) POLBAPEX1HTTTDP1THRB
SCHEMBL26142434 0.86 POLB (0.35) ELANEPOLBAPEX1HTTTDP1
SCHEMBL23350668 0.85 APP (0.42) KMT2ATSHRPTGS2HIF1A
SCHEMBL18808279 0.85 ELANE (0.34) ELANEPOLBAPEX1HTTTDP1
SCHEMBL19158301 0.84 ELANE (0.38) ELANEPOLBAPEX1HTTTDP1
SCHEMBL19157792 0.83 FFAR1 (0.38) POLBAPEX1HTTTDP1THRB
SCHEMBL18806033 0.83 ELANE (0.39) ELANEPOLBAPEX1HTTTDP1

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
US-20220220383-A1 METHOD FOR PREPARING A LIQUID CRYSTAL-BASED SWITCHING ELEMENT MERCK PATENT GMBH (DE) 2022-07-14 — — US disclosed
US-20200040257-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-02-06 — — US disclosed
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