SCHEMBL6987276

SCHEMBL6987276

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)[C@@H](C)N)C(CC=Cc1cccs1)C(=O)NOC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.36
TGFBR1 P36897 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
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6987093 0.84 ADAM17 (0.44) ADAM17TGFBR1CCNA2CDK2CCNA1
SCHEMBL6946853 0.84 ADAM17 (0.50) ADAM17TGFBR1CCNA2CDK2CCNA1
SCHEMBL6987120 0.83 ADAM17 (0.43) ADAM17TGFBR1
SCHEMBL6984901 0.83 ADAM17 (0.43) ADAM17TGFBR1
SCHEMBL6986307 0.83 ADAM17 (0.47) ADAM17TGFBR1CCNA2CDK2CCNA1
SCHEMBL6988787 0.83 ADAM17 (0.47) ADAM17TGFBR1CCNA2CDK2CCNA1
SCHEMBL6982384 0.83 ADAM17 (0.47) ADAM17TGFBR1
SCHEMBL6986009 0.82 ADAM17 (0.40) ADAM17TGFBR1CCNA2CDK2CCNA1
SCHEMBL6983510 0.82 ADAM17 (0.52) ADAM17HPGDSMN1; SMN2
SCHEMBL6945370 0.82 ADAM17 (0.49) ADAM17TGFBR1CCNA2CDK2CCNA1

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