SCHEMBL13900985

SCHEMBL13900985

CC=C1CCN(C(C)=O)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
BAZ2B Q9UIF8 8/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BPTF Q12830 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTAFR P25105 1/20 0.34
MAPK1 P28482 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SHMT2 P34897 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
SCHEMBL13900836 1.00 NOTUM (0.47) NOTUMBAZ2BLMNAMAPTCYP1A2
SCHEMBL13900984 0.87 CYP1A2 (0.44) NOTUMCYP1A2TDP1ALDH1A1KDM4E
SCHEMBL13308642 0.80 CYP1A2 (0.39) NOTUMCYP1A2TDP1ALDH1A1KDM4E
SCHEMBL13900987 0.80 CYP1A2 (0.39) NOTUMCYP1A2TDP1ALDH1A1KDM4E
SCHEMBL13291999 0.74 ESR2 (0.50) LMNAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL18322651 0.74 SRD5A2 (0.30)
SCHEMBL770483 0.72 CYP1A2 (0.43) NOTUMCYP1A2TDP1ALDH1A1KDM4E
SCHEMBL13804058 0.72 CYP1A2 (0.43) NOTUMCYP1A2TDP1ALDH1A1KDM4E
SCHEMBL7379323 0.71
SCHEMBL14818732 0.70 NOTUM (0.39) NOTUMBAZ2BLMNAMAPTBPTF

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
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed