SCHEMBL7836616

SCHEMBL7836616

CC(C)C[C@@H](C(=O)NN1CCC(=O)NC1=O)[C@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.53
MMP3 P08254 15/20 0.40
MMP2 P08253 14/20 0.40
MMP7 P09237 12/20 0.40
MMP1 P03956 13/20 0.39
MMP8 P22894 3/20 0.39
MMP9 P14780 2/20 0.39
MMP14 P50281 2/20 0.39
MMP13 P45452 2/20 0.39
MMP12 P39900 1/20 0.39
APP P05067 1/20 0.39
FCER2 P06734 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL13274078 0.90 ADAM17 (0.55) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL1844380 0.90 ADAM17 (0.55) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL7955133 0.90 ADAM17 (0.55) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL1844385 0.90 ADAM17 (0.55) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL7955135 0.90 ADAM17 (0.55) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL7835742 0.84 ADAM17 (0.48) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL7836742 0.84 ADAM17 (0.48) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6940789 0.83 ADAM17 (0.54) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6940783 0.83 ADAM17 (0.54) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6940779 0.83 ADAM17 (0.54) ADAM17MMP3MMP2MMP7MMP1

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
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP claimed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed