SCHEMBL4645779

SCHEMBL4645779

CC[CH]C(=O)Oc1cc(O)cc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
BACE1 P56817 1/20 0.39
PTPN1 P18031 3/20 0.38
PTPN11 Q06124 2/20 0.38
HSP90AB1 P08238 1/20 0.37
CYP3A4 P08684 4/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PTPN2 P17706 1/20 0.36
CA5A P35218 1/20 0.35
PTGS1 P23219 1/20 0.35
DRD3 P35462 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
SCHEMBL4643737 0.85 MEN1 (0.44) MEN1KMT2AMAPTCA12CA1
SCHEMBL4643933 0.82 CYP3A4 (0.61) MEN1KMT2ACYP3A4BCHEACHE
SCHEMBL4644237 0.80 ELANE (0.44) MEN1KMT2ACA12CA1CA2
SCHEMBL4645356 0.78 PTGS2 (0.41) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL4644736 0.77 MEN1 (0.50) MEN1KMT2AMAPTCA12CA1
SCHEMBL27531105 0.75 KMT2A (0.50) MEN1KMT2AMAPTCA12CA1
SCHEMBL5612980 0.73 ZDHHC2 (0.46) KMT2AMAPTALDH1A1HPGDALOX15
SCHEMBL4644289 0.72 KMT2A (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL28468806 0.72 BCL9 (0.49) MEN1KMT2AMAPTCA12CA1
SCHEMBL19335969 0.72 MAPT (0.58) MEN1KMT2AMAPTCA12CA1

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