SCHEMBL4644738

SCHEMBL4644738

[CH2]CC(=O)Oc1cc(O)cc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
BACE1 P56817 2/20 0.37
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA7 P43166 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
CYP3A4 P08684 2/20 0.34
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
CA5A P35218 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4645783 0.83 KMT2A (0.38) HSP90AB1KMT2AMAPTMEN1BACE1
SCHEMBL8655756 0.82 KMT2A (0.48) HSP90AB1KMT2AMAPTMEN1BACE1
SCHEMBL8654065 0.82 HSP90AB1 (0.47) HSP90AB1KMT2AMAPTMEN1BACE1
SCHEMBL4643742 0.82 KMT2A (0.41) HSP90AB1KMT2AMAPTMEN1CA12
SCHEMBL4647741 0.80 CYP3A4 (0.59) KMT2AMEN1CA12CA2CA9
SCHEMBL4645207 0.80 HSP90AB1 (0.41) HSP90AB1KMT2AMAPTMEN1BACE1
SCHEMBL4645655 0.78 HSP90AB1 (0.39) HSP90AB1KMT2AMAPTMEN1BACE1
SCHEMBL4643345 0.78 KMT2A (0.45) KMT2AMAPTMEN1ALDH1A1HSD17B10
SCHEMBL1226295 0.78 HSP90AB1 (0.39) HSP90AB1KMT2AMAPTMEN1BACE1
SCHEMBL8651557 0.78 KMT2A (0.44) HSP90AB1KMT2AMAPTMEN1BACE1

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