SCHEMBL25936691

SCHEMBL25936691

C=C(C)C(=O)OCCOc1ccc(-c2ccc(OC(=O)CC)cc2)c(OCCOC(=O)C(=C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ESR1 P03372 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ PTPN11 Q06124 2/20 0.35
▸ ELANE P08246 1/20 0.35

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
SCHEMBL18808109 0.94 HTT (0.40) HTTTDP1POLBAPEX1KMT2A
SCHEMBL16559838 0.91 POLB (0.44) HTTTDP1POLBAPEX1KMT2A
SCHEMBL24440871 0.90 POLB (0.43) HTTTDP1POLBAPEX1KMT2A
SCHEMBL21891667 0.89 TDP1 (0.41) HTTTDP1POLBAPEX1KMT2A
SCHEMBL16559829 0.88 POLB (0.47) HTTTDP1POLBAPEX1KMT2A
SCHEMBL21693389 0.86 POLB (0.40) HTTTDP1POLBAPEX1ESR1
SCHEMBL16559832 0.86 TDP1 (0.38) HTTTDP1POLBAPEX1KMT2A
SCHEMBL22023580 0.86 POLB (0.37) HTTTDP1POLBAPEX1THRB
SCHEMBL19624269 0.86 HTT (0.42) HTTTDP1POLBAPEX1KMT2A
SCHEMBL16573122 0.85 POLB (0.49) HTTTDP1POLBAPEX1KMT2A

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-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 — — EP disclosed
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