Butanedione

Butanedione

SCHEMBL5077409

CC(=O)C(C)=O.O=C1CCCC1=O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
BAZ2B Q9UIF8 1/20 0.37
PTK2 Q05397 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
CREBBP Q92793 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34

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
Butanedione SCHEMBL14128472 0.94 TSHR (0.44) TSHRTHPOBAZ2BPTK2MAPT
SCHEMBL289021 0.79
Butanedione SCHEMBL15655934 0.76 TSHR (0.54) TSHRTHPO
SCHEMBL6573461 0.75
SCHEMBL4269106 0.75
Butanedione SCHEMBL15658503 0.75 TRIM24 (0.62) TSHRTHPOSMN1; SMN2
SCHEMBL13756976 0.75 PTK2 (0.34) BAZ2BPTK2MAPTTP53CREBBP
Bicarbonate SCHEMBL10505866 0.73 TRIM24 (0.41) PTK2MAPTSMN1; SMN2
Cyclohexanone SCHEMBL15659452 0.73 TRIM24 (0.65) TSHRTHPOSMN1; SMN2
SCHEMBL12588776 0.73 ALDH1A1 (0.37) BAZ2BTP53SMN1; SMN2

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
EP-1937484-A1 INKJET RECORDING MEDIUM AND METHOD FOR MANUFACTURING THE SAME FUJIFILM Corporation (JP) 2008-07-02 EP disclosed
WO-2007037134-A1 INKJET RECORDING MEDIUM AND METHOD FOR MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2007-04-05 WO disclosed
US-4376818-A USED IN SILVER HALIDE PHOTOGRAPHIC EMULSION MITSUBISHI PAPER MILLS, LTD. (JP) 1983-03-15 US disclosed
US-4336321-A CYANINE SENSITIZING DYES MITSUBISHI PAPER MILLS, LTD. (JP) 1982-06-22 US disclosed