SCHEMBL18511121

SCHEMBL18511121

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KMT2A Q03164 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ CYP11B1 P15538 3/20 0.33
▸ CYP11B2 P19099 3/20 0.33
▸ PTPN11 Q06124 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ BACE1 P56817 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
SCHEMBL19159051 0.93 POLB (0.44) POLBAPEX1HTTTDP1KMT2A
SCHEMBL16559838 0.91 POLB (0.44) POLBAPEX1HTTTDP1KMT2A
SCHEMBL29333409 0.91 POLB (0.38) POLBAPEX1HTTTDP1KMT2A
SCHEMBL25933597 0.91 POLB (0.38) POLBAPEX1HTTTDP1KMT2A
SCHEMBL24355953 0.90 POLB (0.37) POLBAPEX1HTTTDP1KMT2A
SCHEMBL24440871 0.90 POLB (0.43) POLBAPEX1HTTTDP1KMT2A
SCHEMBL22845690 0.89 POLB (0.41) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL16559829 0.87 POLB (0.47) POLBAPEX1HTTTDP1KMT2A
SCHEMBL21841985 0.86 POLB (0.34) POLBAPEX1HTTTDP1KMT2A
SCHEMBL19497305 0.86 POLB (0.34) POLBAPEX1HTTTDP1KMT2A

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
EP-2985334-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-20 — — EP disclosed
EP-3130650-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2017-02-15 — — EP disclosed
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