SCHEMBL6984793

SCHEMBL6984793

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.39
MMP2 P08253 9/20 0.39
MMP8 P22894 6/20 0.39
MMP13 P45452 3/20 0.39
ADAM17 P78536 3/20 0.37
MMP3 P08254 6/20 0.37
APP P05067 2/20 0.35
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TNF P01375 1/20 0.33
FCER2 P06734 1/20 0.32
MMP7 P09237 2/20 0.31
MMP9 P14780 3/20 0.31
MMP10 P09238 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
MMP14 P50281 1/20 0.31

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
Hydrochloric Acid SCHEMBL6986337 0.99 MMP1 (0.38) MMP1MMP2MMP8MMP13ADAM17
SCHEMBL6980963 0.81 MMP1 (0.36) MMP1MMP2MMP8MMP13ADAM17
SCHEMBL6982654 0.81 MMP1 (0.52) MMP1MMP2MMP8MMP13ADAM17
SCHEMBL6981622 0.76 ADAM17 (0.68) MMP1MMP2MMP8MMP13ADAM17
Hydrochloric Acid SCHEMBL6986451 0.75 ADAM17 (0.67) MMP1MMP2MMP8MMP13ADAM17
Hydrochloric Acid SCHEMBL6982157 0.74 ADAM17 (0.64) MMP1MMP2MMP8MMP13ADAM17
SCHEMBL7377058 0.73 HDAC7 (0.46) MMP1MMP2MMP8MMP13ADAM17
SCHEMBL6983510 0.73 ADAM17 (0.52) MMP1MMP2MMP8MMP13ADAM17
SCHEMBL9714087 0.70 MMP1 (0.41) MMP1MMP2MMP8MMP13ADAM17
Hydrochloric Acid SCHEMBL6986409 0.68 ADAM17 (0.68) MMP1MMP2MMP8MMP13ADAM17

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