SCHEMBL4643728

SCHEMBL4643728

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.39
CA5A P35218 2/20 0.39
ALDH1A1 P00352 1/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GLS O94925 1/20 0.36
CNR2 P34972 1/20 0.36
RIPK1 Q13546 1/20 0.35
PARP10 Q53GL7 1/20 0.35
IDO1 P14902 2/20 0.35
MAPK8 P45983 1/20 0.35
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL4643651 0.91 CA2 (0.38) CA2CA5AALDH1A1CA12CA1
SCHEMBL4644032 0.84 CA2 (0.40) CA2CA5AALDH1A1CA12CA1
SCHEMBL4643285 0.79 PARP10 (0.43) CA2CA5AALDH1A1CA12CA1
SCHEMBL4641515 0.78 ALDH1A1 (0.49) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL4643292 0.76 KMT2A (0.41) CA2CA5AALDH1A1CA12CA1
SCHEMBL4645738 0.74 MTNR1A (0.49) CA2CA12CA1CA9KMT2A
SCHEMBL4644593 0.73 CYP4F2 (0.41) CA2ALDH1A1CA12CA1CA9
SCHEMBL4645130 0.73 ALDH1A1 (0.35) CA2ALDH1A1CA12CA1CA9
SCHEMBL4644613 0.73 ALDH1A1 (0.35) CA2ALDH1A1CA12CA1CA9
SCHEMBL4642018 0.73 CYP4F2 (0.41) CA2ALDH1A1CA12CA1CA9

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