SCHEMBL9104070

SCHEMBL9104070

CCC(C(=O)O)c1cccc2c1Nc1ccccc1S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
BCHE P06276 2/20 0.41
NOX1 Q9Y5S8 5/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
ALOX15 P16050 3/20 0.41
KMT2A Q03164 3/20 0.41
SNCA P37840 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ALOX12 P18054 1/20 0.41
MAOA P21397 1/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL11195556 0.82 NOX1 (0.44) GAABCHENOX1MAPTMEN1
SCHEMBL13386127 0.79 NOX1 (0.47) GAABCHENOX1MAPTMEN1
SCHEMBL8966024 0.78 NOX1 (0.46) GAABCHENOX1MAPTMEN1
Iodide SCHEMBL13386196 0.78 NOX1 (0.46) GAABCHENOX1MAPTMEN1
Iodide SCHEMBL13386096 0.77 NOX1 (0.44) GAABCHENOX1MAPTMEN1
SCHEMBL19747564 0.76 NOX1 (0.46) GAABCHENOX1MAPTMEN1
SCHEMBL8749550 0.75 NOX1 (0.53) GAABCHENOX1MAPTMEN1
SCHEMBL29962687 0.74 NOX1 (0.41) GAABCHENOX1MAPTMEN1
SCHEMBL14988086 0.74 NOX1 (0.42) GAABCHENOX1MAPTMEN1
SCHEMBL885279 0.73 NOX1 (0.47) GAABCHENOX1MAPTMEN1

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
US-8192948-B1 Chemifluorescent substrate for peroxide and peroxidase detection PIERCE BIOTECHNOLOGY, INC. (US) 2012-06-05 US disclosed
EP-0068563-A2 Heterocyclic acetic acid compounds and compositions for treating bone diseases THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed