SCHEMBL4644419

SCHEMBL4644419

O=C(CCCCO)Oc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.44
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 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
SCHEMBL4641868 0.95 VCAM1 (0.43) VCAM1MAPTTP53MAPK1L3MBTL1
SCHEMBL4644511 0.91 VCAM1 (0.40) VCAM1MAPTTP53MAPK1L3MBTL1
SCHEMBL4642224 0.87 VCAM1 (0.40) VCAM1MAPTTP53MAPK1L3MBTL1
SCHEMBL4647539 0.87 VCAM1 (0.42) VCAM1MAPTTP53MAPK1L3MBTL1
SCHEMBL4644695 0.86 MAPT (0.41) MAPTL3MBTL1KMT2ATDP1KDM4E
SCHEMBL4645879 0.85 VCAM1 (0.39) VCAM1MAPTTP53MAPK1L3MBTL1
SCHEMBL4643664 0.83 MAPT (0.38) MAPTL3MBTL1KMT2ATDP1KDM4E
SCHEMBL4644580 0.81 VCAM1 (0.41) VCAM1MAPTTP53MAPK1L3MBTL1
SCHEMBL4642147 0.80 CA1 (0.37) MAPTMAPK1L3MBTL1KMT2ATDP1
SCHEMBL4642068 0.80 VCAM1 (0.40) VCAM1KMT2ATDP1KDM4ECYP1A2

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