SCHEMBL6982858

SCHEMBL6982858

CC(C)C[C@@H](C(=O)NN(Cc1ccccc1)C(=O)Cc1cccnc1)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
LMNA P02545 6/20 0.33
ALDH1A1 P00352 4/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
PTAFR P25105 1/20 0.33
POLB P06746 1/20 0.33
FKBP1A P62942 2/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
SLC2A1 P11166 1/20 0.33
REN P00797 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) LMNAALDH1A1PKMMAPTTP53
SCHEMBL6983470 0.89 BMP1 (0.39) MMP1MMP13CTSLCTSBLMNA
SCHEMBL6982289 0.86 MMP1 (0.37) MMP1MMP13REN
SCHEMBL6988232 0.85 MMP1 (0.35) MMP1MMP13LMNAALDH1A1POLB
SCHEMBL6980505 0.84 MMP1 (0.36) MMP1MMP13LMNAALDH1A1F2
SCHEMBL6982715 0.82 CYP1A2 (0.37) MMP1MMP13CTSL
SCHEMBL7840445 0.82 MMP1 (0.46) MMP1MMP13
SCHEMBL6986871 0.81 MMP1 (0.37) MMP1MMP13LMNAF2PRSS1
SCHEMBL6981709 0.80 BMP1 (0.38) MMP1MMP13REN
SCHEMBL6981387 0.80 MMP1 (0.36) MMP1MMP13LMNAFKBP1AREN

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