SCHEMBL4642224

SCHEMBL4642224

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.40
KMT2A Q03164 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 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
SCHEMBL4647800 0.90 VCAM1 (0.37) VCAM1KMT2ACA1CA2CA9
SCHEMBL4641868 0.89 VCAM1 (0.43) VCAM1KMT2ACA1CA2CA9
SCHEMBL4644419 0.87 VCAM1 (0.44) VCAM1KMT2ACA1CA2CA9
SCHEMBL4641988 0.85 VCAM1 (0.38) VCAM1KMT2AALDH1A1MEN1NPSR1
SCHEMBL4642147 0.85 CA1 (0.37) KMT2ACA1CA2CA9CYP1A2
SCHEMBL4642241 0.84 CA1 (0.39) VCAM1KMT2ACA1CA2CA9
SCHEMBL4643898 0.83 CA1 (0.36) KMT2ACA1CA2CA9CYP1A2
SCHEMBL348786 0.82 CA1 (0.41) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL24636722 0.81 KMT2A (0.47) VCAM1KMT2AALDH1A1MEN1TSHR
SCHEMBL4644695 0.80 MAPT (0.41) KMT2ACA1CA2CA9CYP1A2

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