SCHEMBL4646044

SCHEMBL4646044

COC(=O)/C=C/C(=O)OCC(=O)Oc1cc(O)cc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
BACE1 P56817 1/20 0.41
HSP90AB1 P08238 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.38
TYR P14679 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4642366 1.00 MAPT (0.44) MAPTMEN1KMT2ABACE1HSP90AB1
SCHEMBL4642362 1.00 MAPT (0.44) MAPTMEN1KMT2ABACE1HSP90AB1
SCHEMBL4642081 0.86 CYP3A4 (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4645024 0.86 CYP3A4 (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4642073 0.86 CYP3A4 (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4644739 0.85 CA12 (0.49) MAPTMEN1KMT2AKEAP1NFE2L2
SCHEMBL4647565 0.85 CA12 (0.49) MAPTMEN1KMT2AKEAP1NFE2L2
SCHEMBL4644743 0.85 CA12 (0.49) MAPTMEN1KMT2AKEAP1NFE2L2
SCHEMBL19335969 0.84 MAPT (0.58) MAPTMEN1KMT2ABACE1HSP90AB1
SCHEMBL4644748 0.83 MAPT (0.41) MAPTMEN1KMT2ABACE1HSP90AB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed