SCHEMBL6984415

SCHEMBL6984415

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)C1CCOC1)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.59
MMP3 P08254 13/20 0.38
MMP1 P03956 12/20 0.38
MMP9 P14780 4/20 0.38
MMP14 P50281 2/20 0.38
MMP2 P08253 14/20 0.36
MMP7 P09237 10/20 0.36
MMP8 P22894 3/20 0.36
MMP13 P45452 2/20 0.36
MMP12 P39900 1/20 0.36
APP P05067 1/20 0.35
FCER2 P06734 1/20 0.34
LTA4H P09960 1/20 0.33
ANPEP P15144 1/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 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
SCHEMBL6982408 0.95 ADAM17 (0.61) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL6942318 0.88 ADAM17 (0.62) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL6980527 0.86 ADAM17 (0.61) ADAM17MMP3MMP1MMP9MMP14
Hydrochloric Acid SCHEMBL6984184 0.85 ADAM17 (0.60) ADAM17MMP3MMP1MMP9MMP14
Hydrochloric Acid SCHEMBL6984700 0.85 ADAM17 (0.61) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL6985048 0.85 ADAM17 (0.59) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL6979784 0.85 ADAM17 (0.59) ADAM17MMP3MMP1MMP9MMP14
Hydrochloric Acid SCHEMBL6983264 0.83 ADAM17 (0.61) ADAM17MMP3MMP1MMP9MMP14
Hydrochloric Acid SCHEMBL6983130 0.83 ADAM17 (0.56) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL6942575 0.82 ADAM17 (0.73) ADAM17MMP3MMP1MMP9MMP14

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