SCHEMBL4590261

SCHEMBL4590261

c1ccc(C2=C(c3ccccc3)c3cccc4cccc2c34)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
HSD17B10 Q99714 6/20 0.59
TSHR P16473 3/20 0.59
MAPK1 P28482 3/20 0.59
ATM Q13315 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HPGD P15428 3/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
TP53 P04637 1/20 0.52
HIF1A Q16665 1/20 0.52
CES2 O00748 1/20 0.48
BCHE P06276 1/20 0.48
CES1 P23141 1/20 0.48
MCL1 Q07820 1/20 0.48
CYP3A4 P08684 2/20 0.46
PABPC1 P11940 1/20 0.46
DNMT1 P26358 1/20 0.46
TYMS P04818 2/20 0.44
PARP1 P09874 1/20 0.43

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
SCHEMBL29773784 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL4590579 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL75606 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL10962686 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL30268605 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10TSHRMAPK1ATM
Fluoranthene SCHEMBL27589763 0.82 ALDH1A1 (0.79) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL28329577 0.80 CDC25A (0.54) ALDH1A1HSD17B10TSHRMAPK1ATM
Tannin Pyrogallol SCHEMBL9397283 0.80 ALDH1A1 (0.75) ALDH1A1HSD17B10TSHRMAPK1ATM
Fluoranthene SCHEMBL3078855 0.80 ALDH1A1 (0.75) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL18845637 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRMAPK1ATM

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 7 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
WO-2008016166-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-02-07 WO 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
US-6127516-A Electrochromic material based on a conducting ladder polymer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-10-03 US disclosed
WO-1999033935-A1 ELECTROACTIVE AND ELECTROCHROMIC HYDROCARBON POLYMERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-07-08 WO disclosed