SCHEMBL7930165

SCHEMBL7930165

CC(C)C[C@@H](C(=O)NN(CCc1ccccc1)C(=O)Cn1ccnn1)[C@H](CCCC1CCCCC1)C(=O)NOC1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 3/20 0.34
MMP2 P08253 1/20 0.34
REN P00797 8/20 0.33
GPR88 Q9GZN0 1/20 0.32
MMP3 P08254 2/20 0.32
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
APP P05067 1/20 0.31
PSMB5 P28074 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL6980505 0.90 MMP1 (0.36) MMP2RENGPR88MMP1MMP13
SCHEMBL6979967 0.89 BMP1 (0.33) BMP1MMP2RENGPR88MMP3
SCHEMBL6986904 0.89 REN (0.36) BMP1MMP2RENMMP3MMP1
SCHEMBL6981510 0.87 BMP1 (0.38) BMP1MMP2RENGPR88
SCHEMBL6983470 0.85 BMP1 (0.39) BMP1MMP2RENMMP3MMP1
SCHEMBL6987232 0.83 BMP1 (0.37) BMP1MMP2RENGPR88APP
SCHEMBL6981390 0.82 BMP1 (0.37) BMP1MMP2RENAPP
SCHEMBL6987346 0.82 APP (0.37) BMP1MMP2RENMMP3MMP1
SCHEMBL6988808 0.80 BMP1 (0.36) BMP1MMP2RENGPR88
SCHEMBL6981709 0.79 BMP1 (0.38) BMP1MMP2RENMMP3MMP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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