SCHEMBL6981709

SCHEMBL6981709

CC(C)C[C@@H](C(=O)NN(Cc1ccccc1)C(=O)CCCN)[C@H](CCCC1CCCCC1)C(=O)NOC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 4/20 0.38
MMP2 P08253 2/20 0.38
PSMB5 P28074 1/20 0.34
REN P00797 6/20 0.33
PSMB10 P40306 1/20 0.33
PSMB2 P49721 1/20 0.33
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
MMP3 P08254 1/20 0.32
APP P05067 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
KLK7 P49862 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
SCHEMBL6986124 0.89 CTSS (0.36) BMP1MMP2REN
SCHEMBL6982041 0.88 BMP1 (0.39) BMP1MMP2PSMB5REN
SCHEMBL6981390 0.86 BMP1 (0.37) BMP1MMP2RENAPP
SCHEMBL6987232 0.85 BMP1 (0.37) BMP1MMP2PSMB5RENAPP
SCHEMBL6982715 0.82 CYP1A2 (0.37) MMP1MMP13MMP3
SCHEMBL6983470 0.81 BMP1 (0.39) BMP1MMP2PSMB5RENMMP1
SCHEMBL6986871 0.80 MMP1 (0.37) MMP2RENMMP1MMP13MMP3
SCHEMBL6982858 0.80 MMP1 (0.38) RENMMP1MMP13
SCHEMBL6982401 0.80 APP (0.37) BMP1MMP2MMP1MMP13MMP3
SCHEMBL6986904 0.79 REN (0.36) BMP1MMP2RENMMP1MMP13

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