SCHEMBL6988869

SCHEMBL6988869

CC(C)C[C@@H](C(=O)O)C(CC=Cc1cccs1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MCL1 Q07820 1/20 0.35
MMP1 P03956 1/20 0.35

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
SCHEMBL7776166 0.83 ADAM17 (0.45) KMT2AMAPTMAPK1ADAM17
SCHEMBL6220562 0.83 ADAM17 (0.45) KMT2AMAPTMAPK1ADAM17
SCHEMBL6220795 0.83 ADAM17 (0.45) KMT2AMAPTMAPK1ADAM17
SCHEMBL6223932 0.83 ADAM17 (0.45) KMT2AMAPTMAPK1ADAM17
SCHEMBL6220793 0.83 ADAM17 (0.45) KMT2AMAPTMAPK1ADAM17
SCHEMBL6223927 0.83 ADAM17 (0.45) KMT2AMAPTMAPK1ADAM17
SCHEMBL6220557 0.83 ADAM17 (0.45) KMT2AMAPTMAPK1ADAM17
SCHEMBL6224875 0.83 ADAM17 (0.45) KMT2AMAPTMAPK1ADAM17
SCHEMBL6224872 0.83 ADAM17 (0.45) KMT2AMAPTMAPK1ADAM17
SCHEMBL6220493 0.74 ADAM17 (0.48) KMT2AMAPTMAPK1ALDH1A1MEN1

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