SCHEMBL6982363

SCHEMBL6982363

CC(C)C[C@H](C(=O)NN(C(=O)[C@@H](C)N)C1CCSCC1)[C@@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.41
CTSC P53634 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
TGFBR1 P36897 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
SCHEMBL6987096 1.00 ADAM17 (0.41) ADAM17CTSCCCNA2CDK2CCNA1
SCHEMBL6980397 0.95 ADAM17 (0.44) ADAM17CTSCCCNA2CDK2CCNA1
SCHEMBL6980398 0.95 ADAM17 (0.44) ADAM17CTSCCCNA2CDK2CCNA1
SCHEMBL6987823 0.94 ADAM17 (0.43) ADAM17CTSCCCNA2CDK2CCNA1
SCHEMBL6983371 0.93 ADAM17 (0.42) ADAM17CTSCTGFBR1
SCHEMBL6982944 0.87 ADAM17 (0.46) ADAM17CTSCCCNA2CDK2CCNA1
SCHEMBL6983650 0.86 ADAM17 (0.44) ADAM17CTSCCCNA2CDK2CCNA1
SCHEMBL6981370 0.86 ADAM17 (0.44) ADAM17CTSCCCNA2CDK2CCNA1
SCHEMBL6988246 0.85 ADAM17 (0.43) ADAM17CTSCTGFBR1
SCHEMBL6988681 0.85 ADAM17 (0.43) ADAM17CTSCTGFBR1

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