SCHEMBL6986685

SCHEMBL6986685

CC(C)CNNC(=O)[C@H](CC1CCCC1)[C@H](CC=Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.40
CTSD P07339 3/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ADAM17 P78536 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
KLK7 P49862 1/20 0.34

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
SCHEMBL6942460 0.87 ADAM17 (0.46) CTSKADAM17MMP1MMP2MMP3
SCHEMBL6979640 0.80 ADAM17 (0.44) CTSKADAM17MMP1MMP2MMP3
SCHEMBL6981638 0.77 ADAM17 (0.46) RENCTSKADAM17MMP2MMP3
SCHEMBL6982398 0.76 CHRNB2 (0.45) ADAM17MMP1MMP2MMP3
SCHEMBL6987317 0.76 ADAM17 (0.44) RENALDH1A1CTSSCTSKADAM17
SCHEMBL6942710 0.75 ADAM17 (0.46) ALDH1A1GAAADAM17MMP1MMP2
SCHEMBL6224872 0.74 ADAM17 (0.45) ADAM17
SCHEMBL6220557 0.74 ADAM17 (0.45) ADAM17
SCHEMBL6220793 0.74 ADAM17 (0.45) ADAM17
SCHEMBL6223927 0.74 ADAM17 (0.45) ADAM17

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