SCHEMBL11024249

SCHEMBL11024249

CCCCCC1(C)C(=O)NC(=O)N1Br

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
MMP2 P08253 7/20 0.35
MMP9 P14780 7/20 0.35
MMP3 P08254 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP8 P22894 4/20 0.34
MMP13 P45452 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 5/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 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
SCHEMBL11022861 0.98 MMP2 (0.37) HSD17B10MMP2MMP9MMP3MEN1
SCHEMBL632188 0.78 LMNA (0.34) SMN1; SMN2KDM4E
SCHEMBL10406804 0.75 PTGS1 (0.38) MMP2MMP9MMP3MEN1GAA
SCHEMBL11025641 0.71 MMP2 (0.33) MMP2MMP9MMP3MEN1GAA
SCHEMBL11023740 0.70 POLB (0.30) MEN1GAAALOX12KMT2A
SCHEMBL11023541 0.69 MEN1 (0.32) MEN1GAAALOX12KMT2A
SCHEMBL11869070 0.68 PTGS1 (0.32) HSD17B10MMP2MMP9MMP3MEN1
SCHEMBL11865933 0.67 PTGS1 (0.35) HSD17B10MMP2MMP9MMP3MEN1
SCHEMBL5804378 0.64 ALDH1A1 (0.50) MMP2MMP9MMP3MMP8MMP13
SCHEMBL361226 0.64 POLB (0.31)

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-0046767-B1 LOW TEMPERATURE BLEACHING GLYCO INC. (US) 1985-08-14 EP claimed
US-4382799-A BROMINATED HYDANTOINS, ISOCYANURATES GLYCO CHEMICALS, INC. (US) 1983-05-10 US claimed
EP-0046767-A4 LOW TEMPERATURE BLEACHING. GLYCO CHEMICALS INC (US) 1982-07-06 EP claimed
EP-0046767-A1 LOW TEMPERATURE BLEACHING. GLYCO CHEMICALS INC (US) 1982-03-10 EP claimed
WO-1981002314-A1 LOW TEMPERATURE BLEACHING GLYCO CHEMICALS INC (US) 1981-08-20 WO claimed