SCHEMBL4644032

SCHEMBL4644032

[CH2]CC(=O)OC(=O)Cc1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.40
CA5A P35218 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
IDO1 P14902 2/20 0.39
PARP10 Q53GL7 1/20 0.39
MAPK8 P45983 1/20 0.38
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
GLS O94925 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
SCHEMBL4643651 0.87 CA2 (0.38) CA2CA5AALDH1A1CA12CA1
SCHEMBL4643285 0.84 PARP10 (0.43) CA2CA5AALDH1A1CA12CA1
SCHEMBL4643728 0.84 CA2 (0.39) CA2CA5AALDH1A1CA12CA1
SCHEMBL4643292 0.81 KMT2A (0.41) CA2CA5AALDH1A1CA12CA1
SCHEMBL4644029 0.77 CA2 (0.38) CA2CA5AALDH1A1CA12CA1
SCHEMBL31042998 0.77 KMT2A (0.51) CA2ALDH1A1CA12CA1CA9
SCHEMBL965852 0.77 KMT2A (0.51) CA2ALDH1A1CA12CA1CA9
SCHEMBL4645883 0.77 CA12 (0.45) CA2ALDH1A1CA12CA1CA9
SCHEMBL4643647 0.74 RIPK1 (0.38) CA2CA5AALDH1A1CA12CA1
SCHEMBL4641557 0.74 AKR1B1 (0.56) ALDH1A1KMT2A

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