SCHEMBL4643898

SCHEMBL4643898

[CH2]CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 3/20 0.33
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
ERN1 O75460 1/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 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
SCHEMBL4643664 0.89 MAPT (0.38) CA1CA2CA9ALDH1A1MAPT
SCHEMBL4641564 0.89 CA1 (0.32) CA1CA2CA9ALDH1A1MAPT
SCHEMBL4642410 0.86 POLB (0.36) ALDH1A1KMT2AMEN1RAB9AKDM4E
SCHEMBL4641646 0.85 CA1 (0.38) CA1CA2CA9ALDH1A1MAPT
SCHEMBL4642147 0.83 CA1 (0.37) CA1CA2CA9ALDH1A1MAPT
SCHEMBL4642224 0.83 VCAM1 (0.40) CA1CA2CA9ALDH1A1MAPT
SCHEMBL348786 0.80 CA1 (0.41) CA1CA2CA9ALDH1A1MAPT
SCHEMBL4641868 0.80 VCAM1 (0.43) CA1CA2CA9ALDH1A1MAPT
SCHEMBL4645709 0.79 KMT2A (0.34) CA1CA2CA9ALDH1A1MAPT
SCHEMBL4644695 0.79 MAPT (0.41) CA1CA2CA9ALDH1A1MAPT

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