SCHEMBL6984926

SCHEMBL6984926

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)OC(C)(C)C)C(/C=C/c1ccccc1)CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.39
CAPN1 P07384 1/20 0.36
ATM Q13315 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
ANPEP P15144 2/20 0.34
LTA4H P09960 1/20 0.34
LAP3 P28838 1/20 0.34
NPEPPS P55786 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
MEN1 O00255 1/20 0.34
ADAM17 P78536 1/20 0.34
CTSK P43235 1/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL6942458 0.89 ADAM17 (0.37) RENCAPN1ATMKMT2AMAPK1
SCHEMBL6943368 0.89 ADAM17 (0.37) RENCAPN1ATMKMT2AMAPK1
SCHEMBL6983531 0.86 REN (0.41) RENATMMAPK1MMP2
SCHEMBL6986700 0.86 PSMB5 (0.36) RENCAPN1ATMKMT2AMAPK1
SCHEMBL6981635 0.85 MAPT (0.35) RENATMKMT2AMAPK1MEN1
SCHEMBL6979636 0.85 ADAM17 (0.35) RENCAPN1ATMKMT2AMAPK1
SCHEMBL6985082 0.83 CTSS (0.35) RENATMKMT2AMAPK1ADAM17
SCHEMBL6986589 0.83 PSMB5 (0.34) RENATMKMT2AMAPK1MMP9
SCHEMBL6221981 0.81 REN (0.37) RENATMKMT2AMAPK1MEN1
SCHEMBL6219848 0.80 REN (0.36) RENATMKMT2AMAPK1MEN1

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