SCHEMBL6981779

SCHEMBL6981779

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.64
MMP2 P08253 9/20 0.39
MMP3 P08254 9/20 0.39
MMP7 P09237 8/20 0.39
FCER2 P06734 5/20 0.39
MMP1 P03956 8/20 0.38
MMP8 P22894 2/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL7930987 0.94 ADAM17 (0.55) ADAM17MMP2MMP3MMP7FCER2
SCHEMBL6983321 0.92 ADAM17 (0.65) ADAM17MMP2MMP3MMP7FCER2
Hydrochloric Acid SCHEMBL6982517 0.89 ADAM17 (0.66) ADAM17MMP2MMP3MMP7FCER2
SCHEMBL6986418 0.88 ADAM17 (0.70) ADAM17MMP2MMP3MMP7FCER2
SCHEMBL6937771 0.88 ADAM17 (0.69) ADAM17MMP2MMP3MMP7FCER2
SCHEMBL6942575 0.86 ADAM17 (0.73) ADAM17MMP2MMP3MMP7FCER2
SCHEMBL8097968 0.86 ADAM17 (0.73) ADAM17MMP2MMP3MMP7FCER2
SCHEMBL6942562 0.86 ADAM17 (0.73) ADAM17MMP2MMP3MMP7FCER2
SCHEMBL6942567 0.86 ADAM17 (0.73) ADAM17MMP2MMP3MMP7FCER2
SCHEMBL6941955 0.86 ADAM17 (0.67) ADAM17MMP2MMP3MMP7FCER2

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