SCHEMBL6986124

SCHEMBL6986124

CC(C)C[C@@H](C(=O)NN(Cc1ccccc1)C(=O)CCCNC(=O)OCc1ccccc1)[C@H](CCCC1CCCCC1)C(=O)NOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 2/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CAPN1 P07384 1/20 0.35
CAPN2 P17655 1/20 0.35
MMP2 P08253 1/20 0.35
BMP1 P13497 1/20 0.35
REN P00797 1/20 0.35
HTT P42858 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
SCHEMBL6982715 0.94 CYP1A2 (0.37) CTSSCTSKCTSLCYP1A2MEN1
SCHEMBL6981709 0.89 BMP1 (0.38) MMP2BMP1REN
SCHEMBL6982041 0.83 BMP1 (0.39) MMP2BMP1REN
SCHEMBL6984595 0.82 CYP1A2 (0.37) CTSSCTSKCTSLCYP1A2
SCHEMBL6981390 0.81 BMP1 (0.37) MMP2BMP1REN
SCHEMBL6987232 0.81 BMP1 (0.37) MEN1KMT2AMMP2BMP1REN
SCHEMBL6983470 0.77 BMP1 (0.39) CTSLMMP2BMP1REN
SCHEMBL6982858 0.76 MMP1 (0.38) CTSLREN
SCHEMBL6983113 0.76 CYP1A2 (0.36) CTSSCTSKCTSLCYP1A2MEN1
SCHEMBL6986123 0.76 CTSS (0.36) CTSSCTSKCTSLCYP1A2MEN1

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