SCHEMBL6986338

SCHEMBL6986338

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

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.41
TGFBR1 P36897 1/20 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
SCHEMBL6987483 0.94 ADAM17 (0.41) ADAM17TGFBR1
SCHEMBL6988246 0.92 ADAM17 (0.43) ADAM17TGFBR1
SCHEMBL6987554 0.90 ADAM17 (0.42) ADAM17TGFBR1
SCHEMBL6986902 0.90 ADAM17 (0.42) ADAM17TGFBR1
SCHEMBL6982207 0.90 ADAM17 (0.42) ADAM17TGFBR1
SCHEMBL6982346 0.90 ADAM17 (0.41) ADAM17TGFBR1
SCHEMBL6988681 0.89 ADAM17 (0.43) ADAM17TGFBR1
SCHEMBL6986737 0.89 ADAM17 (0.43) ADAM17TGFBR1
SCHEMBL6984594 0.89 ADAM17 (0.43) ADAM17TGFBR1
SCHEMBL6979989 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