SCHEMBL4645207

SCHEMBL4645207

O=C(CO)Oc1cc(O)cc(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.41
VCAM1 P19320 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ACHE P22303 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
BACE1 P56817 2/20 0.36
CYP3A4 P08684 1/20 0.35
CA5A P35218 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
LCK P06239 1/20 0.33

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
SCHEMBL8654065 0.84 HSP90AB1 (0.47) HSP90AB1MAPTKMT2AMEN1ACHE
SCHEMBL8655756 0.84 KMT2A (0.48) HSP90AB1VCAM1MAPTKMT2AMEN1
SCHEMBL4646644 0.83 VCAM1 (0.42) HSP90AB1VCAM1MAPTKMT2AMEN1
SCHEMBL8653287 0.81 HSP90AB1 (0.50) HSP90AB1KMT2ACA2ALDH1A1
SCHEMBL8654408 0.80 KMT2A (0.48) HSP90AB1VCAM1MAPTKMT2AMEN1
SCHEMBL4644738 0.80 HSP90AB1 (0.39) HSP90AB1MAPTKMT2AMEN1CNR1
SCHEMBL27531105 0.80 KMT2A (0.50) HSP90AB1MAPTKMT2AMEN1ACHE
SCHEMBL8651557 0.80 KMT2A (0.44) HSP90AB1VCAM1MAPTKMT2AMEN1
SCHEMBL1226295 0.80 HSP90AB1 (0.39) HSP90AB1MAPTKMT2AMEN1CNR1
SCHEMBL4645655 0.80 HSP90AB1 (0.39) HSP90AB1MAPTKMT2AMEN1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN 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