SCHEMBL4647638

SCHEMBL4647638

[CH2]CCCC(=O)Oc1ccc(OCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
NPC1 O15118 2/20 0.53
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NQO1 P15559 1/20 0.48
PARP10 Q53GL7 1/20 0.47
CYP1A2 P05177 2/20 0.46
SLC22A2 O15244 1/20 0.46
TMPRSS2 O15393 1/20 0.46
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
F12 P00748 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46

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
SCHEMBL4646736 0.91 KMT2A (0.55) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4644240 0.86 KMT2A (0.54) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4644529 0.86 KMT2A (0.54) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4643585 0.86 NPC1 (0.41) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4644350 0.85 KMT2A (0.52) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4644105 0.85 KMT2A (0.52) KMT2AMEN1NPC1HTTLMNA
SCHEMBL20703605 0.84 BCL9 (0.60) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4645067 0.84 NQO1 (0.54) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL27619982 0.83 NPC1 (0.54) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4642189 0.82 KMT2A (0.58) KMT2AMEN1HTTLMNAALDH1A1

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