SCHEMBL6946885

SCHEMBL6946885

CCCCN(NC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)NO)S(C)(=O)=O

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.79
MMP2 P08253 11/20 0.40
MMP3 P08254 10/20 0.40
MMP1 P03956 10/20 0.40
MMP7 P09237 9/20 0.40
MMP8 P22894 3/20 0.39
MMP13 P45452 2/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
FCER2 P06734 2/20 0.35

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
SCHEMBL6943724 0.94 ADAM17 (0.82) ADAM17MMP2MMP3MMP1MMP7
SCHEMBL6947626 0.93 ADAM17 (0.80) ADAM17MMP2MMP3MMP1MMP7
SCHEMBL6939569 0.91 ADAM17 (0.76) ADAM17MMP2MMP3MMP1MMP7
SCHEMBL6946832 0.90 ADAM17 (0.85) ADAM17MMP2MMP3MMP1MMP7
SCHEMBL6943001 0.90 ADAM17 (0.82) ADAM17MMP2MMP3MMP1MMP7
SCHEMBL6941769 0.90 ADAM17 (0.85) ADAM17MMP2MMP3MMP1MMP7
SCHEMBL6940777 0.90 ADAM17 (0.75) ADAM17MMP2MMP3MMP1MMP7
SCHEMBL6942649 0.89 ADAM17 (0.79) ADAM17MMP2MMP3MMP1MMP7
SCHEMBL4481744 0.88 ADAM17 (1.00) ADAM17MMP2MMP3MMP1MMP7
SCHEMBL6813847 0.88 ADAM17 (1.00) ADAM17MMP2MMP3MMP1MMP7

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