SCHEMBL7844907

SCHEMBL7844907

CC(C)C[C@@H](C(=O)Nn1c(=O)[nH]c2ccccc2c1=O)[C@H](CCCc1ccccc1)C(=O)NOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ECE1 P42892 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MMP1 P03956 3/20 0.39
MMP13 P45452 1/20 0.39
MMP2 P08253 5/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
GCK P35557 2/20 0.38
KDR P35968 1/20 0.37
MMP14 P50281 2/20 0.36
ERAP1 Q9NZ08 2/20 0.36
IL1RN P18510 1/20 0.36
ERAP2 Q6P179 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
ANPEP P15144 1/20 0.35

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
SCHEMBL7844905 1.00 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2ECE1KDM4EMMP1
SCHEMBL7849158 0.89 MMP1 (0.45) L3MBTL1SMN1; SMN2MMP1MMP13MMP2
SCHEMBL7849154 0.89 MMP1 (0.45) L3MBTL1SMN1; SMN2MMP1MMP13MMP2
SCHEMBL7946723 0.88 MMP1 (0.42) ECE1MMP1MMP13MMP2MMP9
SCHEMBL7946725 0.88 MMP1 (0.42) ECE1MMP1MMP13MMP2MMP9
SCHEMBL7845190 0.85 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2KDM4EMMP1MMP9
SCHEMBL7845187 0.85 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2KDM4EMMP1MMP9
SCHEMBL7849943 0.82 MMP1 (0.40) ECE1MMP1MMP13MMP2MMP9
SCHEMBL7946534 0.82 MMP1 (0.40) ECE1MMP1MMP13MMP2MMP9
SCHEMBL7849941 0.82 MMP1 (0.40) ECE1MMP1MMP13MMP2MMP9

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