SCHEMBL5820817

SCHEMBL5820817

COc1c(O)c2c(c(O)c1OC)C(=O)C(O)=CC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.41
▸ EPHX2 P34913 3/20 0.36
▸ PDE4A P27815 3/20 0.36
▸ PDE4B Q07343 3/20 0.36
▸ PDE4C Q08493 3/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ XIAP P98170 1/20 0.36
▸ GAA P10253 5/20 0.35
▸ MGAM O43451 2/20 0.35
▸ SI P14410 2/20 0.35
▸ MGAM2 Q2M2H8 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL10494242 0.82 XIAP (0.37) PIM1EPHX2XIAPGAATDP1
SCHEMBL10494205 0.79 MAPT (0.41) PIM1XIAPGAATDP1KDM4E
SCHEMBL5821723 0.76 EPHX2 (0.57) PIM1EPHX2GAAMGAMSI
SCHEMBL5821593 0.75 PTGS2 (0.39) PIM1GAATDP1KDM4EMEN1
SCHEMBL5820540 0.75 PTGS2 (0.39) PIM1GAATDP1KDM4EMEN1
SCHEMBL10494234 0.75 MAPT (0.41) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL30002739 0.73 MAPT (0.52) TDP1KDM4EMEN1ALDH1A1POLB
SCHEMBL9176608 0.73 MAPT (0.52) TDP1KDM4EMEN1ALDH1A1POLB
SCHEMBL17867066 0.71 XIAP (0.33) XIAPKDM4EMEN1ALDH1A1POLB
SCHEMBL10494191 0.70 EPHX2 (0.56) EPHX2TDP1KDM4EALDH1A1POLB

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-2006107827-A1 SKIN BONDING PROCESS CREIGHTON UNIVERSITY (US) 2006-10-12 — — WO disclosed
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