SCHEMBL8778080

SCHEMBL8778080

CCCC(=O)N(OC(C)=O)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC1 Q13547 5/20 0.33
HDAC2 Q92769 5/20 0.33
HDAC3 O15379 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
FFAR3 O14843 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 2/20 0.32
NQO1 P15559 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL8778088 0.91 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL8269048 0.82 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TSHRNQO1
SCHEMBL13855861 0.76 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL133026 0.75 NQO1 (0.41) ALDH1A1LMNAHSD17B10TSHRNQO1
SCHEMBL8778249 0.73 ALDH1A1 (0.50) ALDH1A1LMNACES2CES1HDAC1
SCHEMBL4760570 0.73 ALDH1A1 (0.50) ALDH1A1LMNACES2CES1HDAC1
SCHEMBL29380424 0.71 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TSHRHCAR2
SCHEMBL9620454 0.71 NQO1 (0.33) ALDH1A1LMNAHSD17B10NQO1
SCHEMBL13636953 0.71 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL3840440 0.69 HTT (0.35) ALDH1A1LMNAHSD17B10CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576622-B1 LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK CO (US) 1997-11-05 EP disclosed
EP-0576622-A1 LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY (US) 1994-01-05 EP disclosed
WO-1992017821-A1 LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY (US) 1992-10-15 WO disclosed
US-5141839-A LITHOGRAPHIC PRINTING PLATES HAVING A RADIATION-SENSITIVE LAYER COMPRISING A PHOTOCROSSLINKABLE POLYMER, A LEUCO DYE, A PHOTOOXIDANT AND A HETEROAROMATIC AMINE N-OXIDE EASTMAN KODAK COMPANY (US) 1992-08-25 US disclosed
US-5141842-A Negative working lithography printing plates EASTMAN KODAK COMPANY (US) 1992-08-25 US disclosed