SCHEMBL7845600

SCHEMBL7845600

CC(C)C[C@@H](C(=O)NN1SNCC1=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.38
TGFBR1 P36897 1/20 0.33
APP P05067 2/20 0.32
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 0.31
MMP2 P08253 3/20 0.30
MMP9 P14780 3/20 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
CTSK P43235 1/20 0.30
MMP1 P03956 1/20 0.30
MMP7 P09237 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
SCHEMBL7828157 0.87 ADAM17 (0.39) ADAM17TGFBR1APPCCNA2CDK2
SCHEMBL6946530 0.86 ADAM17 (0.40) ADAM17TGFBR1APPCCNA2CDK2
SCHEMBL6946529 0.86 ADAM17 (0.40) ADAM17TGFBR1APPCCNA2CDK2
SCHEMBL7835552 0.84 ADAM17 (0.44) ADAM17TGFBR1APPCCNA2CDK2
SCHEMBL7955132 0.84 ADAM17 (0.44) ADAM17TGFBR1APPCCNA2CDK2
SCHEMBL6944514 0.84 ADAM17 (0.39) ADAM17TGFBR1APPCCNA2CDK2
SCHEMBL6944517 0.84 ADAM17 (0.39) ADAM17TGFBR1APPCCNA2CDK2
SCHEMBL7960563 0.84 ADAM17 (0.39) ADAM17TGFBR1APPCCNA2CDK2
SCHEMBL7839914 0.84 ADAM17 (0.39) ADAM17TGFBR1APPCCNA2CDK2
SCHEMBL6942361 0.83 ADAM17 (0.38) ADAM17TGFBR1APPCCNA2CDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed