SCHEMBL6987823

SCHEMBL6987823

CC(C)C[C@@H](C(=O)NN(C(=O)[C@@H](C)N)C1CCCCC1)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.43
CTSC P53634 1/20 0.33
KDM4E B2RXH2 2/20 0.32
P2RX3 P56373 1/20 0.32
TGFBR1 P36897 1/20 0.32
APP P05067 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
ANPEP P15144 2/20 0.31
LTA4H P09960 1/20 0.31
LAP3 P28838 1/20 0.31
NPEPPS P55786 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 2/20 0.30
LNPEP Q9UIQ6 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 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
SCHEMBL6980397 0.99 ADAM17 (0.44) ADAM17CTSCKDM4EP2RX3TGFBR1
SCHEMBL6980398 0.99 ADAM17 (0.44) ADAM17CTSCKDM4EP2RX3TGFBR1
SCHEMBL6983371 0.96 ADAM17 (0.42) ADAM17CTSCP2RX3TGFBR1APP
SCHEMBL6982363 0.94 ADAM17 (0.41) ADAM17CTSCTGFBR1CCNA2CDK2
SCHEMBL6987096 0.94 ADAM17 (0.41) ADAM17CTSCTGFBR1CCNA2CDK2
SCHEMBL6982944 0.89 ADAM17 (0.46) ADAM17CTSCP2RX3TGFBR1APP
SCHEMBL6981370 0.89 ADAM17 (0.44) ADAM17CTSCP2RX3TGFBR1APP
SCHEMBL6983650 0.89 ADAM17 (0.44) ADAM17CTSCP2RX3TGFBR1APP
SCHEMBL6987284 0.88 ADAM17 (0.42) ADAM17CTSCP2RX3TGFBR1APP
SCHEMBL6988681 0.87 ADAM17 (0.43) ADAM17CTSCP2RX3TGFBR1APP

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