SCHEMBL6986468

SCHEMBL6986468

CC(C)C[C@@H](C(=O)O)C(CCCCC1CCCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
REN P00797 3/20 0.37
EPHX1 P07099 1/20 0.36
NAAA Q02083 4/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CPB2 Q96IY4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 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
SCHEMBL7764176 0.96 BCHE (0.39) BCHERENEPHX1CTSSCTSK
SCHEMBL6943418 0.96 BCHE (0.39) BCHERENEPHX1CTSSCTSK
SCHEMBL6943422 0.96 BCHE (0.39) BCHERENEPHX1CTSSCTSK
SCHEMBL7764173 0.96 BCHE (0.39) BCHERENEPHX1CTSSCTSK
SCHEMBL7928707 0.95 BCHE (0.37) BCHERENEPHX1CTSSCTSK
SCHEMBL7815506 0.95 BCHE (0.37) BCHERENEPHX1CTSSCTSK
SCHEMBL7763593 0.80 MEN1 (0.46) HDAC4HDAC1HDAC6
SCHEMBL6939989 0.80 BCHE (0.39) BCHERENEPHX1CTSSCTSK
SCHEMBL6945400 0.79 CTSK (0.33) RENCTSKSMN1; SMN2
SCHEMBL6946023 0.79 CTSK (0.33) RENCTSKSMN1; SMN2

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