SCHEMBL7696985

SCHEMBL7696985

CC(C)CC1(Cc2ccccc2)NC(=O)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.49
ADAM17 P78536 3/20 0.44
MMP2 P08253 6/20 0.42
MMP13 P45452 6/20 0.42
MMP8 P22894 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CACNA1F O60840 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
SCN1A P35498 1/20 0.42
SCN4A P35499 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
CACNA1D Q01668 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42

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
SCHEMBL14935456 0.86 MMP9 (0.45) MMP9ADAM17MMP2MMP13MMP8
SCHEMBL4174555 0.85 CYP3A4 (0.49) MMP9ADAM17MMP2MMP13MMP8
SCHEMBL6692258 0.79 ADAMTS5 (0.35) ADAM17MMP2MMP13ALDH1A1CACNA1F
SCHEMBL27952144 0.77 MMP9 (0.58) MMP9ADAM17MMP2MMP13MMP8
SCHEMBL7097777 0.75 ALDH1A1 (0.60) MMP9ADAM17MMP2MMP13MMP8
SCHEMBL15972776 0.75 ALDH1A1 (0.60) MMP9ADAM17MMP2MMP13MMP8
SCHEMBL6693034 0.74 LMNA (0.40) ADAM17MMP2MMP13ALDH1A1CYP3A4
SCHEMBL4618724 0.73 ADAMTS5 (0.35) ADAM17MMP2MMP13ALDH1A1CYP3A4
SCHEMBL11598474 0.73 ALDH1A1 (0.33) ADAM17MMP2MMP13ALDH1A1CACNA1F
SCHEMBL6692728 0.71 PDE7A (0.40) MMP9ADAM17MMP2MMP13ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO disclosed