SCHEMBL4644736

SCHEMBL4644736

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
CYP3A4 P08684 3/20 0.39
CA5A P35218 1/20 0.39
LCK P06239 1/20 0.39
BACE1 P56817 2/20 0.38
HSP90AB1 P08238 1/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL4647740 0.79 CYP3A4 (0.67) MEN1KMT2AMAPTCA12CA1
SCHEMBL4643342 0.77 ELANE (0.48) MEN1KMT2AMAPTCA12CA1
SCHEMBL19335969 0.77 MAPT (0.58) MEN1KMT2AMAPTCA12CA1
SCHEMBL4645779 0.77 MEN1 (0.46) MEN1KMT2AMAPTCA12CA1
SCHEMBL320560 0.76 CYP3A4 (0.63) MEN1KMT2AMAPTCA12CA1
SCHEMBL4643737 0.74 MEN1 (0.44) MEN1KMT2AMAPTCA12CA1
SCHEMBL1128210 0.73 CA12 (0.46) MEN1KMT2AMAPTCA12CA1
SCHEMBL23393531 0.73 ELANE (0.58) MEN1KMT2AMAPTCA12CA1
Methoxymethane SCHEMBL29094017 0.73 CYP3A4 (0.59) MEN1KMT2AMAPTCA12CA1
SCHEMBL29233490 0.73 CA5A (0.44) 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