SCHEMBL6709728

SCHEMBL6709728

CCCC(=O)OC(=O)C(C(C)=O)C(=O)CCC.[Zr]

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL1690418 0.96 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL28917355 0.90 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL10430260 0.88 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL3629282 0.81 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL3297474 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL4727242 0.79 CA1 (0.38) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL11727566 0.77 CES1 (0.43) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL11556450 0.77 CES1 (0.43) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL27795733 0.77 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL194638 0.75 NAAA (0.32) ALDH1A1LMNAHSD17B10

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-0866101-B1 PHOTOCATALYTIC COATING COMPOSITION AND PHOTOCATALYST-BEARING STRUCTURE NIPPON SODA CO (JP) 2004-07-28 EP disclosed
US-6407033-B1 MIXTURE OF ZIRCONIUM AND TIN COMPOUND; ALKALI RESISTANCE NIPPON SODA CO., LTD. (JP) 2002-06-18 US disclosed
EP-0866101-A1 PHOTOCATALYTIC COATING COMPOSITION AND PHOTOCATALYST-BEARING STRUCTURE NIPPON SODA CO., LTD. (JP) 1998-09-23 EP disclosed