SCHEMBL7849154

SCHEMBL7849154

CC(C)CC(C(=O)Nn1c(=O)[nH]c2ccccc2c1=O)[C@@H](CCCc1ccccc1)C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.45
MMP13 P45452 3/20 0.45
MMP2 P08253 7/20 0.43
MMP3 P08254 7/20 0.43
MMP7 P09237 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP8 P22894 3/20 0.41
GCK P35557 2/20 0.41
MMP9 P14780 2/20 0.41
ADAM17 P78536 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL7849158 1.00 MMP1 (0.45) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7847144 0.90 MMP1 (0.43) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7847147 0.90 MMP1 (0.43) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7844907 0.89 L3MBTL1 (0.43) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7844905 0.89 L3MBTL1 (0.43) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7846699 0.88 MMP1 (0.43) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7846703 0.88 MMP1 (0.43) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7849870 0.88 HPGD (0.51) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7849871 0.88 HPGD (0.51) MMP1MMP13MMP2MMP3MMP7
SCHEMBL7845190 0.87 L3MBTL1 (0.41) MMP1MMP3L3MBTL1SMN1; SMN2GCK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed