SCHEMBL6942735

SCHEMBL6942735

CC(C)C[C@@](CC(C)(C)C)(C(=O)NNS(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.42
MMP1 P03956 4/20 0.37
MMP9 P14780 4/20 0.37
MMP13 P45452 4/20 0.37
HTR2A P28223 3/20 0.33
PSMB5 P28074 1/20 0.33
CTSC P53634 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
MMP2 P08253 3/20 0.32
MMP8 P22894 3/20 0.32
GAA P10253 2/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL7931077 0.73 ADAM17 (0.34) ADAM17HTR2ACTSCGAASMN1; SMN2
SCHEMBL6942867 0.72 ADAM17 (0.68) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL7937182 0.72 ADAM17 (0.36) ADAM17MMP1MMP9MMP13CTSC
SCHEMBL6942733 0.70 ADAM17 (0.36) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6940930 0.70 ADAM17 (0.40) ADAM17MMP1MMP9MMP13CTSC
Hydrochloric Acid SCHEMBL7931109 0.69 ADAM17 (0.31) ADAM17
SCHEMBL7921611 0.67 ADAM17 (0.35) ADAM17MMP1MMP9MMP13HTR2A
SCHEMBL7930087 0.66 CTSC (0.37) MMP1HTR2APSMB5CTSCMMP2
SCHEMBL7930090 0.66 CTSC (0.37) MMP1HTR2APSMB5CTSCMMP2
SCHEMBL7930092 0.66 CTSC (0.37) MMP1HTR2APSMB5CTSCMMP2

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
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed