SCHEMBL6982348

SCHEMBL6982348

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)NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
ADAM17 P78536 1/20 0.38
MMP9 P14780 1/20 0.38
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
ANXA2 P07355 2/20 0.31
S100A10 P60903 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 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
SCHEMBL6983162 0.86 ALDH1A1 (0.32) MMP1MMP2MMP3MMP8MMP13
SCHEMBL6941953 0.82 ADAM17 (0.39) MMP1MMP2MMP3ADAM17MMP9
SCHEMBL6980044 0.82 ADAM17 (0.36) ADAM17GRIK1GRIK2
SCHEMBL6985245 0.80 ADAM17 (0.42) ADAM17
SCHEMBL6984201 0.79 ADAM17 (0.37) ADAM17
Hydrochloric Acid SCHEMBL7805704 0.78 ADAM17 (0.36) ADAM17NPC1RAB9A
Hydrochloric Acid SCHEMBL6985210 0.78 ADAM17 (0.36) ADAM17NPC1RAB9A
SCHEMBL6987205 0.78 ADAM17 (0.37) ADAM17
SCHEMBL7812777 0.77 ADAM17 (0.36) ADAM17
SCHEMBL6943076 0.77 ADAM17 (0.39) ADAM17GRIK1GRIK2

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