SCHEMBL6983470

SCHEMBL6983470

CC(C)C[C@@H](C(=O)NN(CCc1ccccc1)C(=O)Cc1cccnc1)[C@H](CCCC1CCCCC1)C(=O)NOC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 6/20 0.39
MMP2 P08253 1/20 0.35
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
REN P00797 5/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
C3AR1 Q16581 1/20 0.33
MMP3 P08254 2/20 0.33
LMNA P02545 1/20 0.33
MAPK14 Q16539 1/20 0.32
PSMB5 P28074 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
SCHEMBL6982041 0.93 BMP1 (0.39) BMP1MMP2RENC3AR1LMNA
SCHEMBL6982858 0.89 MMP1 (0.38) MMP1MMP13RENCTSLCTSB
SCHEMBL6986904 0.86 REN (0.36) BMP1MMP2MMP1MMP13REN
SCHEMBL6979967 0.86 BMP1 (0.33) BMP1MMP2MMP1MMP13REN
SCHEMBL7930165 0.85 BMP1 (0.34) BMP1MMP2MMP1MMP13REN
SCHEMBL6986712 0.81 BMP1 (0.37) BMP1MMP2MMP1MMP13C3AR1
SCHEMBL6981709 0.81 BMP1 (0.38) BMP1MMP2MMP1MMP13REN
SCHEMBL6981390 0.80 BMP1 (0.37) BMP1MMP2REN
SCHEMBL6987232 0.79 BMP1 (0.37) BMP1MMP2RENPSMB5
SCHEMBL6986124 0.77 CTSS (0.36) BMP1MMP2RENCTSL

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