SCHEMBL6656910

SCHEMBL6656910

CCC1=CC(=O)C=CC1=O.CCC1=CC(=O)C=CC1=O.CCCC1=CC(=O)C=CC1=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.63
BACE1 P56817 1/20 0.63
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ERBB2 P04626 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX5 P09917 5/20 0.33
PTGS2 P35354 5/20 0.33
GLS2 Q9UI32 1/20 0.32
STAT3 P40763 1/20 0.31

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
SCHEMBL5051489 0.94 ACHE (0.70) ACHEBACE1MAOAMAOBERBB2
SCHEMBL28229943 0.91 ACHE (0.68) ACHEBACE1MAOAMAOBERBB2
SCHEMBL973343 0.89 ACHE (0.57) ACHEBACE1MAOAMAOBERBB2
SCHEMBL28094861 0.87 ACHE (0.55) ACHEBACE1MAOAMAOBERBB2
SCHEMBL439163 0.81 ACHE (0.85) ACHEBACE1MAOAMAOBERBB2
SCHEMBL7915011 0.79 ACHE (0.61) ACHEBACE1MAOAMAOBERBB2
SCHEMBL28100374 0.79 ACHE (0.81) ACHEBACE1MAOAMAOBERBB2
Acetic Acid SCHEMBL27348090 0.79 ACHE (0.48) ACHEBACE1MAOAMAOBERBB2
SCHEMBL891244 0.79 ACHE (0.96) ACHEBACE1MAOAMAOBMEN1
SCHEMBL8782213 0.78 ACHE (1.00) ACHEBACE1MAOAMAOBMEN1

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-1436407-A1 AMPEROMETRIC SENSOR DREW SCIENTIFIC LTD. (GB) 2004-07-14 EP disclosed
WO-2003033726-A1 AMPEROMETRIC SENSOR DREW SCIENTIFIC LIMITED (GB) 2003-04-24 WO disclosed