SCHEMBL6983469

SCHEMBL6983469

CCCC(CCc1ccccc1)(C(=O)NN)C(=O)[C@@H](c1cnccc1C)[C@H](CCCC1CCCCC1)C(=O)NOC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
BMP1 P13497 9/20 0.32
MMP2 P08253 2/20 0.31
BCHE P06276 1/20 0.31
TGFBR1 P36897 1/20 0.31
C3AR1 Q16581 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
SCHEMBL6982036 0.95 BMP1 (0.32) PPARGBMP1MMP2BCHETGFBR1
SCHEMBL6982855 0.91 TGFBR1 (0.31) TGFBR1
SCHEMBL6987056 0.83 MMP2 (0.35) PPARGBMP1MMP2
SCHEMBL6979963 0.80 PPARG (0.33) PPARGBMP1MMP2BCHE
SCHEMBL6981859 0.78 BMP1 (0.34) BMP1MMP2
SCHEMBL6981509 0.77 PPARG (0.32) PPARGBMP1MMP2BCHETGFBR1
SCHEMBL6987230 0.76 BMP1 (0.31) PPARGBMP1MMP2BCHE
SCHEMBL6982618 0.73 BMP1 (0.35) BMP1
SCHEMBL6980503 0.72 TGFBR1 (0.35) TGFBR1
SCHEMBL6988228 0.71 TGFBR1 (0.30) TGFBR1

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