SCHEMBL4590318

SCHEMBL4590318

C=Cc1cccc2cc(CO)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.34
ERN1 O75460 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
AKR1B1 P15121 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 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
SCHEMBL1979135 0.86 PLAU (0.38) ENPP2CA12CA2CA3CA4
SCHEMBL4521095 0.83 CYP1A2 (0.48) SIRT2SIRT1SIRT3SIRT5MEN1
SCHEMBL11735543 0.81 SIRT2 (0.35) AKR1B1SIRT2SIRT1SIRT3SIRT5
SCHEMBL4590405 0.81 TSHR (0.35) AKR1B1TOP2ATOP2BEGFRMEN1
SCHEMBL5036824 0.80 NCEH1 (0.36) SIRT2SIRT1SIRT3SIRT5MEN1
SCHEMBL1506789 0.77 CYP1A2 (0.43) MEN1CYP1A2CYP2C9KMT2A
SCHEMBL30365636 0.77 CYP1A2 (0.43) MEN1CYP1A2CYP2C9KMT2A
SCHEMBL5383549 0.75 EGFR (0.42) ENPP2CA12CA2CA3CA4
SCHEMBL30504155 0.74 MAPK1 (0.45) ENPP2CA12CA2CA3CA4
SCHEMBL29592963 0.74 TP53 (0.41) SIRT2SIRT1SIRT3SIRT5SLC9A1

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