SCHEMBL6983935

SCHEMBL6983935

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
ANPEP P15144 2/20 0.35
LTA4H P09960 1/20 0.35
LAP3 P28838 1/20 0.35
NPEPPS P55786 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
P2RX3 P56373 1/20 0.34
TGFBR1 P36897 1/20 0.34
MGLL Q99685 1/20 0.33
CAPN1 P07384 1/20 0.33
SLC6A3 Q01959 2/20 0.33
LNPEP Q9UIQ6 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL6947398 0.89 ADAM17 (0.34) CTSKMMP2MMP9ANPEPLTA4H
SCHEMBL6937840 0.89 ADAM17 (0.34) CTSKMMP2MMP9ANPEPLTA4H
SCHEMBL8097948 0.87 P2RX3 (0.31) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL7835552 0.85 ADAM17 (0.44) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL7955132 0.85 ADAM17 (0.44) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL7933426 0.84 APP (0.33) CTSKMMP2MMP9ANPEPLTA4H
SCHEMBL6942237 0.84 MMP1 (0.37) CTSKMMP2MMP9MCHR1
SCHEMBL6983813 0.81 MEN1 (0.36) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6943373 0.80 ADAM17 (0.33) CTSKMMP2MMP9ANPEPLTA4H
SCHEMBL6982932 0.80 P2RX3 (0.32) CTSKMMP2MMP9ANPEPLTA4H

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 8 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
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US 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-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed