SCHEMBL6987093

SCHEMBL6987093

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.44
TGFBR1 P36897 1/20 0.32
APP P05067 1/20 0.32
CTSC P53634 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
P2RX3 P56373 1/20 0.30
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
ANPEP P15144 2/20 0.30
LTA4H P09960 1/20 0.30
LAP3 P28838 1/20 0.30
NPEPPS P55786 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL6984901 0.92 ADAM17 (0.43) ADAM17TGFBR1APPCTSCP2RX3
SCHEMBL6987120 0.92 ADAM17 (0.43) ADAM17TGFBR1APPCTSCP2RX3
SCHEMBL6988246 0.91 ADAM17 (0.43) ADAM17TGFBR1APPCTSCP2RX3
SCHEMBL6984594 0.91 ADAM17 (0.43) ADAM17TGFBR1APPCTSCP2RX3
SCHEMBL6988681 0.91 ADAM17 (0.43) ADAM17TGFBR1APPCTSCP2RX3
SCHEMBL6986737 0.91 ADAM17 (0.43) ADAM17TGFBR1APPCTSCP2RX3
SCHEMBL6987284 0.90 ADAM17 (0.42) ADAM17TGFBR1APPCTSCP2RX3
SCHEMBL6982297 0.90 ADAM17 (0.42) ADAM17TGFBR1APPCTSCP2RX3
SCHEMBL6946853 0.90 ADAM17 (0.50) ADAM17TGFBR1APPCTSCCCNA2
SCHEMBL6987794 0.89 ADAM17 (0.42) ADAM17TGFBR1CTSCP2RX3

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