SCHEMBL5810540

SCHEMBL5810540

CC1=C(CC2=C(C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.62
MAPT P10636 4/20 0.58
KDM4E B2RXH2 3/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 3/20 0.58
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
APAF1 O14727 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MITF O75030 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CDC25B P30305 6/20 0.54
CDC25A P30304 4/20 0.54
AURKA O14965 1/20 0.54
AURKB Q96GD4 1/20 0.54
S100A4 P26447 6/20 0.52
MAP2K7 O14733 2/20 0.52
NPC1 O15118 2/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 2/20 0.51

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
SCHEMBL7912380 0.88 TBXAS1 (0.69) TBXAS1MAPTKDM4ELMNAHTT
SCHEMBL5820368 0.86 MAPT (0.58) TBXAS1MAPTKDM4ELMNAHTT
SCHEMBL29906409 0.85 TBXAS1 (0.60) TBXAS1MAPTKDM4ELMNAHTT
SCHEMBL12761935 0.85 TBXAS1 (0.60) TBXAS1MAPTKDM4ELMNAHTT
SCHEMBL29906350 0.85 TBXAS1 (0.53) TBXAS1MAPTKDM4ELMNAHTT
SCHEMBL26982467 0.85 TBXAS1 (0.53) TBXAS1MAPTKDM4ELMNAHTT
SCHEMBL571496 0.84 MAPT (0.56) TBXAS1MAPTKDM4ELMNAHTT
SCHEMBL29906379 0.83 TBXAS1 (0.59) TBXAS1MAPTKDM4ELMNAHTT
SCHEMBL12761938 0.83 TBXAS1 (0.59) TBXAS1MAPTKDM4ELMNAHTT
SCHEMBL12833652 0.83 MAPT (0.51) TBXAS1MAPTKDM4ELMNAHTT

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