SCHEMBL18476299

SCHEMBL18476299

C=CC(=O)OCCOc1cc(OCCOC(=O)C(=C)C)ccc1-c1ccc(OC(O)C(=C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.40
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ USP2 O75604 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PTPN11 Q06124 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
SCHEMBL22845690 0.93 POLB (0.41) THRBPOLBAPEX1HTTTDP1
SCHEMBL18688195 0.83 POLB (0.41) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL21693482 0.82 POLB (0.40) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL18511121 0.82 POLB (0.38) THRBPOLBAPEX1HTTTDP1
SCHEMBL18476298 0.82 POLB (0.37) POLBAPEX1HTTTDP1
SCHEMBL16559838 0.80 POLB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL22592264 0.79 POLB (0.39) THRBPOLBAPEX1HTTTDP1
SCHEMBL19559099 0.79 POLB (0.39) THRBPOLBAPEX1HTTTDP1
SCHEMBL24440871 0.79 POLB (0.43) THRBPOLBAPEX1HTTTDP1
SCHEMBL21289112 0.79 POLB (0.43) THRBPOLBAPEX1HTTTDP1

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
WO-2017020998-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 — — WO disclosed
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