SCHEMBL6986026

SCHEMBL6986026

CC(C[C@@](C)(CC1CCC1)[C@H](C/C=C/c1ccccc1)C(=O)OC(C)(C)C)C(=O)NN

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 3/20 0.33
CTSC P53634 1/20 0.32
CYP3A4 P08684 1/20 0.32
CAPN1 P07384 1/20 0.32
GAA P10253 1/20 0.32
MASP2 O00187 1/20 0.32

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
SCHEMBL6982221 0.98 REN (0.34) RENNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7815835 0.76 CTSC (0.36) LMNATSHRHTR2ACTSC
SCHEMBL6987723 0.76 CTSC (0.36) LMNATSHRHTR2ACTSC
SCHEMBL7957560 0.72 GHSR (0.37) KMT2AL3MBTL1ALDH1A1MEN1LMNA
SCHEMBL6977404 0.71 MASP2 (0.36) ALDH1A1HTR2ACTSCGAAMASP2
SCHEMBL6220502 0.70 ADAM17 (0.48) RENKMT2AALDH1A1MEN1HTR2A
SCHEMBL6220496 0.70 ADAM17 (0.48) RENKMT2AALDH1A1MEN1HTR2A
SCHEMBL6220493 0.70 ADAM17 (0.48) RENKMT2AALDH1A1MEN1HTR2A
SCHEMBL6984686 0.70 ADAM17 (0.48) RENKMT2AALDH1A1MEN1HTR2A
SCHEMBL6220497 0.70 ADAM17 (0.48) RENKMT2AALDH1A1MEN1HTR2A

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