SCHEMBL6979989

SCHEMBL6979989

CC(C)C[C@@H](C(=O)NN(CC(C)(C)CO)C(=O)[C@@H](C)N)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.41
APP P05067 2/20 0.32
TGFBR1 P36897 1/20 0.32
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP7 P09237 1/20 0.30
MMP10 P09238 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
MMP14 P50281 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
CTSC P53634 1/20 0.30

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
SCHEMBL6984594 0.94 ADAM17 (0.43) ADAM17APPTGFBR1MMP1MMP2
SCHEMBL6982297 0.91 ADAM17 (0.42) ADAM17APPTGFBR1MMP2MMP9
SCHEMBL6986737 0.91 ADAM17 (0.43) ADAM17APPTGFBR1MMP1MMP2
SCHEMBL6987554 0.89 ADAM17 (0.42) ADAM17APPTGFBR1MMP1MMP2
SCHEMBL6982207 0.89 ADAM17 (0.42) ADAM17TGFBR1CTSC
SCHEMBL6988246 0.89 ADAM17 (0.43) ADAM17APPTGFBR1MMP1MMP2
SCHEMBL6988681 0.89 ADAM17 (0.43) ADAM17APPTGFBR1MMP2MMP9
SCHEMBL6987093 0.89 ADAM17 (0.44) ADAM17APPTGFBR1MMP2MMP9
SCHEMBL6987284 0.89 ADAM17 (0.42) ADAM17APPTGFBR1MMP2MMP9
SCHEMBL6986338 0.88 ADAM17 (0.41) ADAM17TGFBR1

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