SCHEMBL6691827

SCHEMBL6691827

CC(C)CC1(C(C)(C)C)NC(=O)NC1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.34
MMP2 P08253 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRB3 P28472 1/20 0.31
OPRD1 P41143 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
LMNA P02545 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
SCHEMBL4620796 0.80 ADAMTS5 (0.35) ADAMTS5MMP2LMNA
SCHEMBL6695121 0.78 LMNA (0.43) ADAMTS5MMP2KDM4EALDH1A1CYP3A4
SCHEMBL23354127 0.76 ADAMTS5 (0.35) ADAMTS5MMP2LMNA
SCHEMBL29814189 0.76 ADAMTS5 (0.35) ADAMTS5MMP2LMNA
SCHEMBL6695577 0.74 ADAMTS5 (0.40) ADAMTS5MMP2KDM4EALDH1A1CYP3A4
SCHEMBL6691838 0.72 MMP2 (0.38) ADAMTS5MMP2LMNA
SCHEMBL6692258 0.71 ADAMTS5 (0.35) ADAMTS5MMP2KDM4EALDH1A1CYP3A4
SCHEMBL10576904 0.69 ADAMTS5 (0.42) ADAMTS5MMP2ALDH1A1
SCHEMBL2138946 0.69 ADAMTS5 (0.42) ADAMTS5MMP2ALDH1A1
SCHEMBL10574702 0.69 ADAMTS5 (0.42) ADAMTS5MMP2ALDH1A1

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
US-20040200780-A1 Methods and systems for uniform control of bromine concentrations in water HOWARTH JONATHAN N (US) 2004-10-14 US disclosed
US-6749758-B2 Methods and systems for uniform-control of bromine concentrations in water ALBEMARLE CORPORATION 2004-06-15 US disclosed
WO-2003047345-A2 METHOD FOR UNIFORM CONTROL OF BROMINE CONCENTRATIONS IN BIOCIDAL WATER ALBEMARLE CORPORATION (US) 2003-06-12 WO disclosed
US-20030102271-A1 Methods and systems for uniform control of bromine concentrations in water ALBEMARLE CORPORATION 2003-06-05 US disclosed