SCHEMBL6982041

SCHEMBL6982041

CC(C)C[C@@H](C(=O)NN(Cc1ccccc1)C(=O)Cc1cccnc1)[C@H](CCCC1CCCCC1)C(=O)NOC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 6/20 0.39
MMP2 P08253 1/20 0.38
MAPT P10636 4/20 0.33
LMNA P02545 1/20 0.33
SLC2A1 P11166 1/20 0.33
TP53 P04637 4/20 0.33
REN P00797 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
MAPK14 Q16539 1/20 0.32
PSMB5 P28074 1/20 0.32
ALDH1A1 P00352 1/20 0.32
C3AR1 Q16581 1/20 0.32

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
SCHEMBL6983470 0.93 BMP1 (0.39) BMP1MMP2LMNARENMAPK14
SCHEMBL6982858 0.93 MMP1 (0.38) MAPTLMNASLC2A1TP53REN
SCHEMBL6981709 0.88 BMP1 (0.38) BMP1MMP2RENPSMB5
SCHEMBL6981390 0.86 BMP1 (0.37) BMP1MMP2REN
SCHEMBL6987232 0.86 BMP1 (0.37) BMP1MMP2RENPSMB5
SCHEMBL6986124 0.83 CTSS (0.36) BMP1MMP2REN
SCHEMBL6981862 0.81 BMP1 (0.38) BMP1MMP2MAPTLMNATP53
SCHEMBL6986904 0.80 REN (0.36) BMP1MMP2REN
SCHEMBL6979967 0.79 BMP1 (0.33) BMP1MMP2LMNARENPSMB5
SCHEMBL6982289 0.79 MMP1 (0.37) REN

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