SCHEMBL6986274

SCHEMBL6986274

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.52
AAK1 Q2M2I8 1/20 0.32
REN P00797 2/20 0.32
MAPT P10636 6/20 0.32
MAPK1 P28482 3/20 0.32
KMT2A Q03164 3/20 0.32
ATM Q13315 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 5/20 0.32
POLB P06746 4/20 0.32
RECQL P46063 2/20 0.32
MEN1 O00255 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31

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
SCHEMBL6948147 0.91 ADAM17 (0.55) ADAM17ALDH1A1GRIK1GRIK2
SCHEMBL6948137 0.91 ADAM17 (0.55) ADAM17ALDH1A1GRIK1GRIK2
SCHEMBL6944663 0.89 ADAM17 (0.56) ADAM17MAPTMAPK1KMT2AATM
SCHEMBL7931029 0.89 ADAM17 (0.57) ADAM17GRIK1GRIK2
SCHEMBL6943851 0.88 ADAM17 (0.67) ADAM17
SCHEMBL7935009 0.83 ADAM17 (0.76) ADAM17RENGRIK1GRIK2
SCHEMBL6981638 0.81 ADAM17 (0.46) ADAM17AAK1RENGRIK1GRIK2
SCHEMBL6220493 0.81 ADAM17 (0.48) ADAM17RENMAPTMAPK1KMT2A
SCHEMBL6220496 0.81 ADAM17 (0.48) ADAM17RENMAPTMAPK1KMT2A
SCHEMBL6220502 0.81 ADAM17 (0.48) ADAM17RENMAPTMAPK1KMT2A

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
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US 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