SCHEMBL6692258

SCHEMBL6692258

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 9/20 0.35
ADAM17 P78536 7/20 0.35
MMP2 P08253 4/20 0.35
MMP13 P45452 2/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRB3 P28472 1/20 0.34
OPRD1 P41143 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
CACNA1F O60840 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
SCN1A P35498 1/20 0.33
SCN4A P35499 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL6693034 0.90 LMNA (0.40) ADAMTS5ADAM17MMP2MMP13LMNA
SCHEMBL4618724 0.88 ADAMTS5 (0.35) ADAMTS5ADAM17MMP2MMP13LMNA
SCHEMBL11598474 0.88 ALDH1A1 (0.33) ADAMTS5ADAM17MMP2MMP13LMNA
SCHEMBL6692728 0.86 PDE7A (0.40) ADAMTS5ADAM17MMP2MMP13LMNA
SCHEMBL6701448 0.83 KDM4E (0.35) ADAMTS5ADAM17MMP2MMP13ALDH1A1
SCHEMBL7696985 0.79 MMP9 (0.49) ADAMTS5ADAM17MMP2MMP13ALDH1A1
SCHEMBL14935456 0.78 MMP9 (0.45) ADAMTS5ADAM17MMP2MMP13ALDH1A1
SCHEMBL10576904 0.76 ADAMTS5 (0.42) ADAMTS5ADAM17MMP2MMP13ALDH1A1
SCHEMBL2138946 0.76 ADAMTS5 (0.42) ADAMTS5ADAM17MMP2MMP13ALDH1A1
SCHEMBL10574702 0.76 ADAMTS5 (0.42) ADAMTS5ADAM17MMP2MMP13ALDH1A1

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
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
US-4472306-A N-HALOGEN SUBSTITUTED ORGANIC PROMOTOR TEXACO INC. (US) 1984-09-18 US disclosed