SCHEMBL6988232

SCHEMBL6988232

CC(C)C[C@@H](C(=O)NN(Cc1ccccc1)C(=O)Cn1cncn1)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35
CYP19A1 P11511 1/20 0.34
IDH1 O75874 1/20 0.32
ALDH1A1 P00352 4/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 3/20 0.31
APP P05067 1/20 0.31
GPR88 Q9GZN0 1/20 0.30
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
DGAT1 O75907 1/20 0.30
RAB9A P51151 1/20 0.30
REN P00797 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) CYP19A1IDH1MEN1KMT2AAPP
SCHEMBL6979967 0.90 BMP1 (0.33) MMP1MMP13CYP19A1IDH1MEN1
SCHEMBL6980505 0.89 MMP1 (0.36) MMP1MMP13ALDH1A1MEN1KMT2A
SCHEMBL6982289 0.89 MMP1 (0.37) MMP1MMP13APPREN
SCHEMBL6982858 0.85 MMP1 (0.38) MMP1MMP13ALDH1A1POLBLMNA
SCHEMBL6981390 0.82 BMP1 (0.37) APPREN
SCHEMBL6981387 0.81 MMP1 (0.36) MMP1MMP13MEN1KMT2ALMNA
SCHEMBL6982715 0.80 CYP1A2 (0.37) MMP1MMP13MEN1KMT2A
SCHEMBL6986904 0.79 REN (0.36) MMP1MMP13REN
SCHEMBL7930165 0.79 BMP1 (0.34) MMP1MMP13MEN1KMT2ALMNA

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 4 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
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed