SCHEMBL4646368

SCHEMBL4646368

O=C(CCCCO)C(=O)Cc1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.41
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA9 Q16790 7/20 0.41
GLS O94925 1/20 0.38
MAPK8 P45983 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HDAC1 Q13547 1/20 0.35
CNR2 P34972 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
RIPK1 Q13546 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL4644170 0.95 CA12 (0.42) CA12CA1CA2CA9GLS
SCHEMBL4642818 0.88 CA12 (0.44) CA12CA1CA2CA9GLS
SCHEMBL4647613 0.85 CA12 (0.40) CA12CA1CA2CA9GLS
SCHEMBL4647273 0.83 CA12 (0.41) CA12CA1CA2CA9GLS
SCHEMBL4644107 0.80 CA12 (0.46) CA12CA1CA2CA9GLS
SCHEMBL4644359 0.75 CA12 (0.45) CA12CA1CA2CA9GLS
SCHEMBL4642124 0.75 CES1 (0.65) ALDH1A1KMT2AHDAC1
SCHEMBL4645883 0.75 CA12 (0.45) CA12CA1CA2CA9GLS
SCHEMBL4411791 0.74 CA12 (0.47) CA12CA1CA2CA9MAPK8
SCHEMBL3028718 0.72 TAAR1 (0.54) CA2GLSALDH1A1HDAC1TAAR1

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