SCHEMBL6902553

SCHEMBL6902553

CC=C(O)C(=O)OCCCOC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
GAA P10253 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NTRK1 P04629 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
SCHEMBL104649 0.90 ALOX5 (0.42) ALOX5GAAMEN1KMT2AMAOB
SCHEMBL672759 0.89 ALOX5 (0.41) ALOX5GAAMEN1KMT2AMAOB
SCHEMBL31361790 0.89 ALOX5 (0.41) ALOX5GAAMEN1KMT2AMAOB
SCHEMBL10135978 0.89 ALOX5 (0.44) ALOX5GAAMEN1KMT2AMAOB
SCHEMBL3288109 0.87 ALDH1A1 (0.44) ALOX5GAAMEN1KMT2AMAOB
SCHEMBL9417192 0.87 NPC1 (0.36) GAATDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL906105 0.86 ALDH1A1 (0.41) ALOX5GAAMEN1KMT2AMAOB
SCHEMBL29768836 0.86 ALDH1A1 (0.41) ALOX5GAAMEN1KMT2AMAOB
SCHEMBL100357 0.86 ALOX5 (0.42) ALOX5GAAMEN1KMT2AMAOB
SCHEMBL16623979 0.86 ALOX5 (0.42) ALOX5GAAMEN1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833393-B2 Fluorocopolymer ASAHI GLASS COMPANY, LIMITED (JP) 2004-12-21 US disclosed
US-20020111391-A1 Curable composition, cured coating film and coated substrate ASAHI GLASS COMPANY, LIMITED (JP) 2002-08-15 US disclosed