SCHEMBL28829494

SCHEMBL28829494

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL1803732 0.71
SCHEMBL9194963 0.71
SCHEMBL1913169 0.69
SCHEMBL9615298 0.69 ALDH1A1 (0.44) LMNAALDH1A1TSHR
SCHEMBL1741701 0.69
Isobutyraldehyde SCHEMBL9246259 0.69 FFAR3 (0.38) FFAR3LCKFYNLMNAALDH1A1
SCHEMBL5030208 0.69
SCHEMBL29064899 0.69 FFAR3 (0.38) FFAR3LCKFYNLMNAALDH1A1
Isobutyraldehyde SCHEMBL465239 0.67
SCHEMBL60300 0.67 ALDH1A1 (0.35) FFAR3LCKFYNLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103249681-B Method for treating contaminated water by adsorption and nanofiltration ENI S.P.A. (IT) 2016-05-11 CN disclosed