SCHEMBL4746432

SCHEMBL4746432

C[C@@H]1C[C@@H]([C@@H](COCc2ccccc2)OCc2ccccc2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CA1 P00915 3/20 0.38
POLB P06746 1/20 0.38
PSMB11 A5LHX3 1/20 0.37
PSMD11 O00231 1/20 0.37
PSMD12 O00232 1/20 0.37
PSMD14 O00487 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMD3 O43242 1/20 0.37
PSMC3 P17980 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMA1 P25786 1/20 0.37
PSMA2 P25787 1/20 0.37
PSMA3 P25788 1/20 0.37
PSMA4 P25789 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMA5 P28066 1/20 0.37
PSMB4 P28070 1/20 0.37
PSMB6 P28072 1/20 0.37

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
SCHEMBL3975996 0.86 PSMB11 (0.37) LMNACA1POLBPSMB11PSMD11
SCHEMBL293946 0.86 LMNA (0.36) LMNACA1POLBPSMB11PSMD11
SCHEMBL8154874 0.83 HTT (0.46) LMNACA1POLBPSMB11PSMD11
SCHEMBL292574 0.83 HTT (0.46) LMNACA1POLBPSMB11PSMD11
SCHEMBL4746571 0.78 LMNA (0.39) LMNACA1POLBPSMB11PSMD11
SCHEMBL4080761 0.78 LMNA (0.39) LMNACA1POLBPSMB11PSMD11
SCHEMBL13841803 0.78 TSHR (0.44) CA1POLBCA2CA7CA9
SCHEMBL7385512 0.77 CYP1A2 (0.38) LMNAPSMB1PSMB5MAPTCYP2C19
SCHEMBL7379057 0.77 CYP1A2 (0.38) LMNAPSMB1PSMB5MAPTCYP2C19
SCHEMBL15084444 0.74 LMNA (0.56) LMNANAAAMAPTCYP2C19CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed