SCHEMBL6944086

SCHEMBL6944086

CC(C)C[C@@H](C(=O)NNc1ccccn1)[C@H](CC=Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.42
MMP1 P03956 3/20 0.41
MMP3 P08254 3/20 0.41
MMP9 P14780 3/20 0.41
MMP2 P08253 1/20 0.41
MMP7 P09237 1/20 0.41
GAA P10253 3/20 0.41
POLB P06746 6/20 0.34
MAPT P10636 6/20 0.34
MAPK1 P28482 3/20 0.34
KMT2A Q03164 3/20 0.34
ATM Q13315 2/20 0.34
MASP2 O00187 1/20 0.34
NPSR1 Q6W5P4 5/20 0.34
RECQL P46063 2/20 0.34
MEN1 O00255 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6942710 0.87 ADAM17 (0.46) ADAM17MMP1MMP3MMP9MMP2
SCHEMBL6947136 0.83 ADAM17 (0.44) ADAM17MMP1MMP9MMP2GAA
SCHEMBL6942460 0.83 ADAM17 (0.46) ADAM17MMP1MMP3MMP2MMP7
SCHEMBL6944742 0.82 CHRNB2 (0.43) ADAM17MMP1MMP3MMP2MMP7
SCHEMBL6984686 0.81 ADAM17 (0.48) ADAM17POLBMAPTMAPK1KMT2A
SCHEMBL6220502 0.81 ADAM17 (0.48) ADAM17POLBMAPTMAPK1KMT2A
SCHEMBL6220496 0.81 ADAM17 (0.48) ADAM17POLBMAPTMAPK1KMT2A
SCHEMBL6220497 0.81 ADAM17 (0.48) ADAM17POLBMAPTMAPK1KMT2A
SCHEMBL6220493 0.81 ADAM17 (0.48) ADAM17POLBMAPTMAPK1KMT2A
SCHEMBL6986484 0.81 ADAM17 (0.48) ADAM17POLBMAPTMAPK1KMT2A

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed