SCHEMBL6983506

SCHEMBL6983506

CC(C)C[C@@H](C(=O)NN)C(C(=O)NO)C(/C=C/c1cccs1)(CC(C)C)C(=O)[C@@H](C)N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP2 P08253 5/20 0.35
MMP3 P08254 4/20 0.35
MMP7 P09237 4/20 0.35
MMP1 P03956 3/20 0.35
FCER2 P06734 2/20 0.35
ADAM17 P78536 3/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
MMP14 P50281 2/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 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
SCHEMBL6981614 0.86 ADAM17 (0.39) MMP2MMP3MMP7MMP1FCER2
Hydrochloric Acid SCHEMBL6986445 0.85 ADAM17 (0.39) MMP2MMP3MMP7MMP1FCER2
SCHEMBL6987267 0.83 CCNA2 (0.31) HPGDSMN1; SMN2MAPT
SCHEMBL7815151 0.80 ADAM17 (0.38) MMP2MMP3MMP7MMP1FCER2
SCHEMBL6943938 0.79 ADAM17 (0.40) MMP2MMP3MMP7MMP1FCER2
Hydrochloric Acid SCHEMBL6984713 0.79 ADAM17 (0.38) MMP2MMP3MMP7MMP1FCER2
Hydrochloric Acid SCHEMBL6986403 0.79 ADAM17 (0.38) MMP2MMP3MMP7MMP1FCER2
SCHEMBL6983453 0.78 ADAM17 (0.39) MMP2MMP3MMP7MMP1FCER2
SCHEMBL6981660 0.78 ADAM17 (0.39) MMP2MMP3MMP7MMP1FCER2
Hydrochloric Acid SCHEMBL6986535 0.77 ADAM17 (0.37) MMP2MMP3MMP7MMP1FCER2

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