SCHEMBL6981387

SCHEMBL6981387

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)CC(=O)n1ccnc1)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
APP P05067 1/20 0.31
REN P00797 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
TGFBR1 P36897 1/20 0.30
FKBP1A P62942 1/20 0.30

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
SCHEMBL6986604 0.88 BMP1 (0.30)
SCHEMBL6982289 0.85 MMP1 (0.37) MMP1MMP13APPREN
SCHEMBL6988232 0.81 MMP1 (0.35) MMP1MMP13APPRENMEN1
SCHEMBL6986904 0.81 REN (0.36) MMP1MMP13REN
SCHEMBL6982858 0.80 MMP1 (0.38) MMP1MMP13RENLMNAFKBP1A
SCHEMBL6980505 0.80 MMP1 (0.36) MMP1MMP13APPRENMEN1
SCHEMBL6981390 0.79 BMP1 (0.37) APPREN
SCHEMBL7840445 0.79 MMP1 (0.46) MMP1MMP13APP
SCHEMBL6942326 0.79 MMP1 (0.39) MMP1MMP13APPREN
SCHEMBL6983815 0.78 MMP1 (0.41) MMP1MMP13APP

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