SCHEMBL6982089

SCHEMBL6982089

CC[C@H](C)CN(NC(=O)[C@H](CC(C)C)[C@H](CCCc1ccccc1)C(=O)NO)C(=O)CCCN

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.47
MMP13 P45452 1/20 0.47
MMP8 P22894 1/20 0.40
FCER2 P06734 4/20 0.39
ADAM17 P78536 2/20 0.38
TSHR P16473 1/20 0.37
MMP3 P08254 3/20 0.37
MMP9 P14780 2/20 0.37
MMP2 P08253 2/20 0.36
MMP7 P09237 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
ANPEP P15144 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL6985193 0.89 MMP1 (0.50) MMP1MMP13MMP8FCER2ADAM17
SCHEMBL6981814 0.82 MMP1 (0.42) MMP1MMP13MMP8APP
SCHEMBL6980311 0.81 MMP1 (0.42) MMP1MMP13MMP8FCER2ADAM17
SCHEMBL6983240 0.81 MMP1 (0.42) MMP1MMP13MMP8FCER2ADAM17
SCHEMBL6981697 0.81 MMP1 (0.43) MMP1MMP13MMP8FCER2ADAM17
SCHEMBL6982654 0.79 MMP1 (0.52) MMP1MMP13MMP8FCER2ADAM17
SCHEMBL7099919 0.77 ADAM17 (0.51) MMP1MMP13MMP8FCER2ADAM17
SCHEMBL6988470 0.76 ADAM17 (0.64) MMP1MMP13MMP8FCER2ADAM17
SCHEMBL6982700 0.75 MMP1 (0.42) MMP1MMP13MMP8APP
SCHEMBL6979941 0.74 MMP1 (0.42) MMP1MMP13MMP8FCER2ADAM17

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