SCHEMBL6982113

SCHEMBL6982113

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)[C@@H]1CCC(=O)N1)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.59
MMP3 P08254 14/20 0.36
MMP2 P08253 13/20 0.36
MMP7 P09237 11/20 0.36
MMP1 P03956 12/20 0.36
MMP9 P14780 3/20 0.36
MMP14 P50281 3/20 0.36
MMP8 P22894 2/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
APP P05067 1/20 0.35
LTA4H P09960 1/20 0.33
ANPEP P15144 1/20 0.33
FCER2 P06734 2/20 0.33

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
SCHEMBL6985163 1.00 ADAM17 (0.59) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL7921571 0.95 ADAM17 (0.52) ADAM17MMP3MMP2MMP7MMP1
Hydrochloric Acid SCHEMBL6983264 0.88 ADAM17 (0.61) ADAM17MMP3MMP2MMP7MMP1
Hydrochloric Acid SCHEMBL6983024 0.86 ADAM17 (0.58) ADAM17MMP3MMP2MMP7MMP1
Hydrochloric Acid SCHEMBL6982428 0.86 ADAM17 (0.58) ADAM17MMP3MMP2MMP7MMP1
Hydrochloric Acid SCHEMBL6984250 0.85 ADAM17 (0.57) ADAM17MMP3MMP2MMP7MMP1
Hydrochloric Acid SCHEMBL6984773 0.85 ADAM17 (0.57) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6980527 0.84 ADAM17 (0.61) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6942318 0.84 ADAM17 (0.62) ADAM17MMP3MMP2MMP7MMP1
Hydrochloric Acid SCHEMBL6984184 0.84 ADAM17 (0.60) 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 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