SCHEMBL6983113

SCHEMBL6983113

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(CCC1CCCCC1)(CC(C)C)C(=O)CCCNC(=O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 3/20 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
CTSL P07711 2/20 0.35
HTT P42858 1/20 0.35
REN P00797 1/20 0.34
CPB1 P15086 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL6986123 0.95 CTSS (0.36) CYP1A2CTSSCTSKMEN1KMT2A
SCHEMBL6982709 0.90 CTSK (0.37) CYP1A2CTSSCTSKMEN1KMT2A
SCHEMBL6981703 0.84 MMP3 (0.33) REN
SCHEMBL6984591 0.82 CTSK (0.38) CYP1A2CTSSCTSKMEN1KMT2A
SCHEMBL6986124 0.76 CTSS (0.36) CYP1A2CTSSCTSKMEN1KMT2A
SCHEMBL6981386 0.75 REN (0.38) CTSSCTSKREN
SCHEMBL6982424 0.74 BCHE (0.30)
SCHEMBL6981382 0.74 REN (0.32) REN
SCHEMBL7805463 0.74 MEN1 (0.30) MEN1KMT2A
SCHEMBL6982376 0.72 CTSK (0.41) CYP1A2CTSSCTSKCTSLREN

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