SCHEMBL6695577

SCHEMBL6695577

CCCC1(C(C)(C)C)NC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.40
MMP2 P08253 2/20 0.40
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
PDE7A Q13946 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRB3 P28472 1/20 0.32
OPRD1 P41143 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
MMP3 P08254 1/20 0.30
MMP9 P14780 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
SCHEMBL6691838 0.89 MMP2 (0.38) ADAMTS5MMP2LMNATDP1MMP3
SCHEMBL6695121 0.83 LMNA (0.43) ADAMTS5MMP2LMNATDP1KDM4E
SCHEMBL23354127 0.78 ADAMTS5 (0.35) ADAMTS5MMP2LMNA
SCHEMBL4620796 0.78 ADAMTS5 (0.35) ADAMTS5MMP2LMNA
SCHEMBL29814189 0.78 ADAMTS5 (0.35) ADAMTS5MMP2LMNA
SCHEMBL6691827 0.74 ADAMTS5 (0.34) ADAMTS5MMP2LMNAKDM4EALDH1A1
SCHEMBL2138557 0.70 PDE7A (0.46) MMP2LMNATDP1PDE7AKDM4E
SCHEMBL23354392 0.69 ADAMTS5 (0.32) ADAMTS5MMP2
SCHEMBL1404438 0.68 SMN1; SMN2 (0.49) ADAMTS5MMP2LMNAALDH1A1
SCHEMBL17738394 0.68 LMNA (0.36) LMNA

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