SCHEMBL4645092

SCHEMBL4645092

CCOc1cc(OCC)cc(OC(=O)CCCO)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
VCAM1 P19320 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PARP10 Q53GL7 1/20 0.36
TOP2A P11388 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL4644551 0.95 KMT2A (0.40) NPC1KMT2AMEN1L3MBTL1VCAM1
SCHEMBL4646323 0.89 KMT2A (0.42) NPC1KMT2AMEN1VCAM1ALDH1A1
SCHEMBL4644120 0.86 NPC1 (0.41) NPC1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL4644240 0.86 KMT2A (0.54) NPC1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL4643585 0.86 NPC1 (0.41) NPC1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL4641904 0.85 KMT2A (0.40) NPC1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL27619990 0.83 NPC1 (0.42) NPC1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL4642531 0.82 PTGS2 (0.41) NPC1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL4644105 0.81 KMT2A (0.52) NPC1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL4645362 0.81 KMT2A (0.41) NPC1KMT2AMEN1ALDH1A1LMNA

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