SCHEMBL5082013

SCHEMBL5082013

CC(=O)C(C)(C)CCC(=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL10028018 0.82 KMT2A (0.31) KMT2A
SCHEMBL18116098 0.80 ACLY (0.43) ALDH1A1KMT2A
SCHEMBL11918240 0.79 ALDH1A1 (0.47) GAAALDH1A1
SCHEMBL13184333 0.78
SCHEMBL13400166 0.78 GAA (0.43) GAAALDH1A1
SCHEMBL11311863 0.77 NAALAD2 (0.45) GAAALDH1A1KMT2A
SCHEMBL28179946 0.76 TSHR (0.52) GAAALDH1A1KMT2A
SCHEMBL1753915 0.76 KMT2A (0.33) KMT2A
SCHEMBL8061327 0.75 TSHR (0.42) GAAALDH1A1
SCHEMBL19367963 0.75

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
US-8674135-B2 Functionalized ionic liquids, and methods of use thereof UNIVERSITY OF SOUTH ALABAMA (US) 2014-03-18 US disclosed
US-7393982-B2 Processes for preparing β-diketone compound, metal complex thereof and metallic compound SHOW A DENKO K.K. (JP) 2008-07-01 US disclosed
US-20070098897-A1 Processes for preparing beta-diketone compound, metal complex thereof and metallic compound SHOWA DENKO K.K. (JP) 2007-05-03 US disclosed
US-4599463-A Process for the preparation of bisphenols GENERAL ELECTRIC COMPANY (US) 1986-07-08 US disclosed