SCHEMBL6985696

SCHEMBL6985696

CCC[C@](C(=O)NN)(C(=O)[C@@H](C)N)c1ccc(C)cc1[C@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.35
HTR2A P28223 3/20 0.33
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MASP2 O00187 1/20 0.32
GRIK1 P39086 3/20 0.32
GRIK2 Q13002 3/20 0.32
NFE2L2 Q16236 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TP53 P04637 1/20 0.32
ADAM17 P78536 1/20 0.31

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
SCHEMBL6987488 0.93 ADAM17 (0.31) CTSCGRIK1GRIK2ADAM17
SCHEMBL6986164 0.93 ADAM17 (0.31) CTSCGRIK1GRIK2ADAM17
SCHEMBL6943182 0.91 CTSC (0.34) CTSCHTR2ALMNAL3MBTL1GRIK1
SCHEMBL6943055 0.89 PIN1 (0.34) CTSCLMNAL3MBTL1MASP2GRIK1
SCHEMBL6943697 0.87 MASP2 (0.34) CTSCMASP2MEN1KMT2A
SCHEMBL6981364 0.85 TGFBR1 (0.33) CTSC
SCHEMBL6983647 0.85 TGFBR1 (0.33) CTSC
SCHEMBL6940940 0.82 ADAM17 (0.35) CTSCLMNAL3MBTL1GRIK1GRIK2
SCHEMBL6945559 0.82 PIN1 (0.37) CTSCHTR2ALMNAL3MBTL1GRIK1
SCHEMBL6942465 0.81 PIN1 (0.32) CTSCLMNAL3MBTL1MAPTSMN1; SMN2

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 4 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
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed