SCHEMBL6979784

SCHEMBL6979784

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)C1CCCO1)[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 10/20 0.38
MMP2 P08253 10/20 0.38
MMP7 P09237 8/20 0.38
MMP1 P03956 9/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 2/20 0.38
MMP14 P50281 2/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
APP P05067 1/20 0.37
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.36
FCER2 P06734 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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 0.86 ADAM17 (0.61) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6942318 0.86 ADAM17 (0.62) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6984415 0.85 ADAM17 (0.59) ADAM17MMP3MMP2MMP7MMP1
Hydrochloric Acid SCHEMBL6983264 0.83 ADAM17 (0.61) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6980527 0.83 ADAM17 (0.61) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6942575 0.82 ADAM17 (0.73) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL8097968 0.82 ADAM17 (0.73) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6942562 0.82 ADAM17 (0.73) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6942567 0.82 ADAM17 (0.73) ADAM17MMP3MMP2MMP7MMP1
Hydrochloric Acid SCHEMBL6983024 0.82 ADAM17 (0.58) 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