SCHEMBL6980221

SCHEMBL6980221

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)c1cccs1)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.65
MMP2 P08253 12/20 0.50
MMP3 P08254 11/20 0.50
MMP7 P09237 10/20 0.50
MMP1 P03956 9/20 0.41
MMP8 P22894 4/20 0.41
MMP9 P14780 3/20 0.41
MMP13 P45452 3/20 0.41
MMP14 P50281 3/20 0.41
MMP12 P39900 1/20 0.41
FCER2 P06734 3/20 0.40
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6944463 0.87 ADAM17 (0.70) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942575 0.87 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942562 0.87 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942567 0.87 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL8097968 0.87 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6937771 0.86 ADAM17 (0.69) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6987208 0.86 ADAM17 (0.61) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6945161 0.86 ADAM17 (0.71) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6986418 0.85 ADAM17 (0.70) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6943944 0.85 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed