SCHEMBL6981386

SCHEMBL6981386

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(CCC1CCCCC1)(Cc1ccccc1)C(=O)Cn1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.38
MMP3 P08254 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL6982283 0.95 REN (0.36) RENMMP3CTSSCTSK
SCHEMBL6981703 0.85 MMP3 (0.33) RENMMP3
SCHEMBL7805709 0.83 GPR88 (0.34) RENMMP3
SCHEMBL6978663 0.83 REN (0.36) RENMMP3
SCHEMBL6986123 0.81 CTSS (0.36) RENMMP3CTSSCTSK
SCHEMBL7816193 0.80 CTSS (0.35) CTSSCTSK
SCHEMBL6981382 0.80 REN (0.32) RENMMP3
SCHEMBL7812670 0.77 GPR88 (0.32) MMP3
SCHEMBL6983113 0.75 CYP1A2 (0.36) RENCTSSCTSK
SCHEMBL6982709 0.75 CTSK (0.37) MMP3CTSSCTSK

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