SCHEMBL6979967

SCHEMBL6979967

CC(C)C[C@@H](C(=O)NN(CCc1ccccc1)C(=O)Cn1cncn1)[C@H](CCCC1CCCCC1)C(=O)NOC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 5/20 0.33
MMP2 P08253 1/20 0.33
CYP19A1 P11511 1/20 0.33
IDH1 O75874 1/20 0.32
GPR88 Q9GZN0 1/20 0.32
REN P00797 6/20 0.32
MMP3 P08254 2/20 0.31
MMP1 P03956 1/20 0.31
MMP13 P45452 1/20 0.31
PSMB5 P28074 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 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
SCHEMBL6987232 0.94 BMP1 (0.37) BMP1MMP2CYP19A1IDH1GPR88
SCHEMBL6988232 0.90 MMP1 (0.35) CYP19A1IDH1GPR88RENMMP1
SCHEMBL6986904 0.89 REN (0.36) BMP1MMP2RENMMP3MMP1
SCHEMBL7930165 0.89 BMP1 (0.34) BMP1MMP2GPR88RENMMP3
SCHEMBL7142422 0.88 APP (0.39) BMP1MMP2CYP19A1IDH1GPR88
SCHEMBL6983470 0.86 BMP1 (0.39) BMP1MMP2RENMMP3MMP1
SCHEMBL6981390 0.83 BMP1 (0.37) BMP1MMP2REN
SCHEMBL6988475 0.81 APP (0.35) BMP1MMP2IDH1MMP3MMP1
SCHEMBL7808351 0.80 CYP19A1 (0.35) CYP19A1IDH1GPR88RENMEN1
SCHEMBL6982041 0.79 BMP1 (0.39) BMP1MMP2RENPSMB5LMNA

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