SCHEMBL8097897

SCHEMBL8097897

CC(C)C[C@@](C(=O)O)(C(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.41
SYK P43405 1/20 0.41
CTSK P43235 4/20 0.40
POLB P06746 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
PPARA Q07869 1/20 0.38

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
SCHEMBL9010277 0.82 CTSK (0.45) CTSSSYKCTSKPOLBCTSL
SCHEMBL9326555 0.78 CTSS (0.44) CTSSSYKCTSKPOLBALDH1A1
SCHEMBL9011862 0.77 CTSS (0.46) CTSSSYKCTSKPOLBALDH1A1
SCHEMBL9011863 0.77 CTSS (0.46) CTSSSYKCTSKPOLBALDH1A1
SCHEMBL8604140 0.77 CTSK (0.46) CTSSSYKCTSKPOLBCTSL
SCHEMBL23789725 0.76 ITGA4 (0.50) CTSSCTSKPOLBITGA4ITGB7
SCHEMBL18970224 0.75 ALDH1A1 (0.49) CTSSSYKCTSKALDH1A1CTSL
SCHEMBL18265983 0.75 ALDH1A1 (0.51) CTSSCTSKALDH1A1CTSLCTSB
SCHEMBL27870024 0.74 CTSS (0.43) CTSSSYKCTSKPOLBALDH1A1
SCHEMBL5650826 0.74 MMP1 (0.47) CTSSCTSKPOLBITGA4ITGB7

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-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed