SCHEMBL11025641

SCHEMBL11025641

CCCCCCC1(C)C(=O)N(Br)C(=O)N1Br

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP3 P08254 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
CPT1A P50416 1/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
MGLL Q99685 2/20 0.31
FAAH O00519 1/20 0.31
GBA1 P04062 1/20 0.30
CNR1 P21554 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
SCHEMBL645130 0.85
SCHEMBL11023541 0.83 MEN1 (0.32) MEN1GAAALOX12KMT2ACPT1A
SCHEMBL11023740 0.81 POLB (0.30) MEN1GAAALOX12KMT2A
SCHEMBL11858800 0.81 MMP2 (0.34) MMP2MMP9MMP3MEN1GAA
SCHEMBL11861051 0.81 MMP2 (0.34) MMP2MMP9MMP3MEN1GAA
SCHEMBL6060736 0.77
SCHEMBL909413 0.76 ELANE (0.31)
SCHEMBL11022861 0.74 MMP2 (0.37) MMP2MMP9MMP3MEN1GAA
SCHEMBL4906641 0.68 POLB (0.31)
SCHEMBL3984187 0.63

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