SCHEMBL6986871

SCHEMBL6986871

CC(C)C[C@@H](C(=O)NN(CCCCN)Cc1ccccc1)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.37
MMP13 P45452 2/20 0.37
APP P05067 4/20 0.34
ACE P12821 1/20 0.34
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
REN P00797 2/20 0.32
MMP2 P08253 6/20 0.32
MMP3 P08254 4/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP7 P09237 1/20 0.32
MMP10 P09238 1/20 0.32
MMP9 P14780 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 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
SCHEMBL6984595 0.89 CYP1A2 (0.37) MMP3
SCHEMBL7840445 0.83 MMP1 (0.46) MMP1MMP13APPERAP2ERAP1
SCHEMBL6942326 0.83 MMP1 (0.39) MMP1MMP13APPRENMMP2
SCHEMBL6983815 0.81 MMP1 (0.41) MMP1MMP13APPMMP2MMP3
SCHEMBL6982858 0.81 MMP1 (0.38) MMP1MMP13RENLMNAF2
SCHEMBL6940058 0.81 CTSK (0.38) MMP1MMP13MMP2MMP3
SCHEMBL6981709 0.80 BMP1 (0.38) MMP1MMP13APPRENMMP2
SCHEMBL6982289 0.79 MMP1 (0.37) MMP1MMP13APPREN
SCHEMBL6980505 0.79 MMP1 (0.36) MMP1MMP13APPRENMMP2
SCHEMBL4290067 0.79 MMP2 (0.41) MMP1MMP2MMP3

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 2 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