SCHEMBL6695121

SCHEMBL6695121

CCC1(C(C)(C)C)NC(=O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ADAMTS5 Q9UNA0 2/20 0.36
MMP2 P08253 2/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRB3 P28472 1/20 0.33
OPRD1 P41143 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
TDP1 Q9NUW8 1/20 0.30
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
SCHEMBL6695577 0.83 ADAMTS5 (0.40) LMNAADAMTS5MMP2KDM4EALDH1A1
SCHEMBL23354127 0.81 ADAMTS5 (0.35) LMNAADAMTS5MMP2
SCHEMBL4620796 0.81 ADAMTS5 (0.35) LMNAADAMTS5MMP2
SCHEMBL29814189 0.81 ADAMTS5 (0.35) LMNAADAMTS5MMP2
SCHEMBL6691838 0.80 MMP2 (0.38) LMNAADAMTS5MMP2TDP1MMP3
SCHEMBL17738394 0.79 LMNA (0.36) LMNA
SCHEMBL6691827 0.78 ADAMTS5 (0.34) LMNAADAMTS5MMP2KDM4EALDH1A1
SCHEMBL23354392 0.72 ADAMTS5 (0.32) ADAMTS5MMP2
SCHEMBL6692056 0.67 LMNA (0.33) LMNAALDH1A1
SCHEMBL1404437 0.67 LMNA (0.50) LMNAADAMTS5KDM4EALDH1A1CYP3A4

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