SCHEMBL6986265

SCHEMBL6986265

C=CCC(C(=O)NOCc1ccccc1)[C@@H](CC(C)C)C(=O)NN(CC(C)C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.45
MMP3 P08254 8/20 0.45
MMP7 P09237 7/20 0.45
MMP1 P03956 6/20 0.45
MMP8 P22894 2/20 0.45
ADAM17 P78536 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
CTSK P43235 5/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 4/20 0.42
CTSB P07858 4/20 0.42
CTSS P25774 3/20 0.42
LGMN Q99538 2/20 0.42

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
SCHEMBL6986937 0.87 CTSK (0.44) MMP1MMP8MMP13MMP14CTSK
SCHEMBL6983836 0.87 CTSK (0.44) MMP1MMP8MMP13MMP14CTSK
SCHEMBL6981072 0.79 CTSK (0.46) CTSKMEN1LMNAKMT2ACTSL
SCHEMBL6982381 0.74 CTSK (0.43) CTSKMEN1LMNAKMT2ACTSL
SCHEMBL7556923 0.73 MMP2 (0.50) MMP2MMP3MMP7MMP1MMP8
SCHEMBL6804041 0.71 MMP2 (0.49) MMP2MMP3MMP7MMP1MMP8
SCHEMBL4431974 0.69 MMP2 (0.78) MMP2MMP3MMP7MMP1MMP8
SCHEMBL6987150 0.69 ADAM17 (0.64) MMP2MMP3MMP7MMP1MMP8
SCHEMBL6940822 0.68 ADAM17 (0.56) MMP2MMP1MMP8ADAM17MMP9
SCHEMBL16473698 0.68 ATM (0.54) CTSKCTSLCTSBCTSS

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