SCHEMBL4589718

SCHEMBL4589718

C=Cc1ccc2cc(CO)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CA5A P35218 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.35
EGFR P00533 1/20 0.35
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TTR P02766 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 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
SCHEMBL4589609 0.94 CA2 (0.40) CA2CA12CA3CA4CA6
SCHEMBL13475717 0.80 RAB9A (0.47) CA2CA12CA3CA4CA6
SCHEMBL1920295 0.80 CYP1A2 (0.55) ALDH1A1TRPA1L3MBTL1RAB9ACYP1A2
SCHEMBL29749150 0.80 CA2 (0.54) CA2CA12CA3CA4CA6
SCHEMBL29434184 0.80 ALDH1A1 (0.59) ALDH1A1TRPA1KDM4EL3MBTL1TP53
SCHEMBL2097335 0.80 ALDH1A1 (0.59) ALDH1A1TRPA1KDM4EL3MBTL1TP53
SCHEMBL1206769 0.80 CA2 (0.54) CA2CA12CA3CA4CA6
SCHEMBL11747770 0.78 RAB9A (0.39) ALDH1A1TRPA1KDM4ERAB9ACYP1A2
SCHEMBL164874 0.78 ALDH1A1 (0.58) CA2CA12CA4CA6CA7
SCHEMBL11471327 0.78 PTGS1 (0.54) CA2ALDH1A1KDM4EHSD17B10CYP1A2

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