SCHEMBL6987232

SCHEMBL6987232

CC(C)C[C@@H](C(=O)NN(Cc1ccccc1)C(=O)Cn1cncn1)[C@H](CCCC1CCCCC1)C(=O)NOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 7/20 0.37
MMP2 P08253 2/20 0.37
IDH1 O75874 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
REN P00797 1/20 0.32
PSMB5 P28074 1/20 0.31
CYP19A1 P11511 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MC3R P41968 1/20 0.30
APP P05067 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
SCHEMBL6979967 0.94 BMP1 (0.33) BMP1MMP2IDH1GPR88REN
SCHEMBL6988232 0.94 MMP1 (0.35) IDH1GPR88RENCYP19A1MEN1
SCHEMBL6981390 0.89 BMP1 (0.37) BMP1MMP2RENAPP
SCHEMBL6982041 0.86 BMP1 (0.39) BMP1MMP2RENPSMB5
SCHEMBL6981709 0.85 BMP1 (0.38) BMP1MMP2RENPSMB5APP
SCHEMBL7930165 0.83 BMP1 (0.34) BMP1MMP2GPR88RENPSMB5
SCHEMBL6986904 0.83 REN (0.36) BMP1MMP2REN
SCHEMBL6980505 0.82 MMP1 (0.36) MMP2GPR88RENMEN1KMT2A
SCHEMBL6981510 0.82 BMP1 (0.38) BMP1MMP2GPR88REN
SCHEMBL6982289 0.82 MMP1 (0.37) RENAPP

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