SCHEMBL4589609

SCHEMBL4589609

C=Cc1ccc2ccc(CO)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CA5A P35218 1/20 0.40
ALDH1A1 P00352 2/20 0.37
TRPA1 O75762 1/20 0.34
EGFR P00533 1/20 0.34
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 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
SCHEMBL4589718 0.94 CA2 (0.41) CA2CA12CA3CA4CA6
SCHEMBL29434157 0.81 ALDH1A1 (0.56) ALDH1A1TRPA1KDM4EL3MBTL1CYP1A2
SCHEMBL2098638 0.81 ALDH1A1 (0.56) ALDH1A1TRPA1KDM4EL3MBTL1CYP1A2
SCHEMBL3039135 0.81 CA2 (0.52) CA2CA12CA3CA4CA6
SCHEMBL3139340 0.81 RAB9A (0.46) CA2CA12CA3CA4CA6
SCHEMBL4519268 0.81 CYP1A2 (0.53) ALDH1A1TRPA1RAB9AL3MBTL1BCHE
SCHEMBL5031540 0.78 THRB (0.40) ALDH1A1TRPA1BCHECYP1A2CYP2A6
SCHEMBL164874 0.77 ALDH1A1 (0.58) CA2CA12CA4CA6CA7
SCHEMBL18371140 0.75 PARP1 (0.39) CA2CA12CA3CA4CA6
Methane SCHEMBL27661538 0.74 ALDH1A1 (0.55) CA2CA12CA4CA6CA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386904-B1 Acenaphthylene derivative, polymer, and antireflection film-forming composition JSR CORP (JP) 2008-09-17 EP disclosed
US-7037994-B2 Acenaphthylene derivative, polymer, and antireflection film-forming composition JSR CORPORATION (JP) 2006-05-02 US disclosed
US-20040034155-A1 Acenaphthylene derivative, polymer, and antireflection film-forming composition JSR CORPORATION (JP) 2004-02-19 US disclosed
EP-1386904-A1 Acenaphthylene derivative, polymer, and antireflection film-forming composition JSR Corporation (JP) 2004-02-04 EP disclosed