SCHEMBL6987274

SCHEMBL6987274

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(/C=C/c1ccccc1)(CC1CCCCC1)C(=O)[C@@H](C)N

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
METAP2 P50579 2/20 0.31
METAP1 P53582 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
P2RX3 P56373 1/20 0.31
MMP9 P14780 2/20 0.30
ANPEP P15144 2/20 0.30
LTA4H P09960 1/20 0.30
LAP3 P28838 1/20 0.30
NPEPPS P55786 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30
TGFBR1 P36897 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
SCHEMBL6988674 0.98 MMP2 (0.31) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6986731 0.91 MMP2 (0.31) MMP2MMP1MMP3P2RX3MMP9
SCHEMBL6982294 0.90 MMP2 (0.30) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6987085 0.90 MMP2 (0.32) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6986331 0.89
SCHEMBL6986897 0.89 MEN1 (0.32) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6987112 0.89 MMP2 (0.32) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6979980 0.88
SCHEMBL6982341 0.88 CTSC (0.30)
SCHEMBL6987817 0.87 P2RX3 (0.33) MMP2P2RX3MMP9ANPEPLTA4H

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