SCHEMBL6983162

SCHEMBL6983162

CCCC(CC(C)C)(C(=O)NN)C(=O)[C@@H](CN1C(=O)c2ccc(C)cc2C1=O)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
TGFBR1 P36897 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL6982348 0.86 MMP1 (0.38) ALDH1A1KDM4EGAAMMP1MMP2
SCHEMBL6983333 0.81 TGFBR1 (0.33) TGFBR1
SCHEMBL6944946 0.81 TGFBR1 (0.32) TGFBR1
SCHEMBL6980509 0.80 TGFBR1 (0.32) TGFBR1
SCHEMBL6988011 0.79 TGFBR1 (0.31) TGFBR1
SCHEMBL7808298 0.78 TGFBR1 (0.32) TGFBR1
SCHEMBL6984051 0.78 TGFBR1 (0.32) TGFBR1
SCHEMBL6982201 0.78 TGFBR1 (0.33) TGFBR1
SCHEMBL6983322 0.77 TGFBR1 (0.31) TGFBR1
SCHEMBL6987478 0.77 TGFBR1 (0.31) 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