SCHEMBL6201700

SCHEMBL6201700

COCCSC(CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.52
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 4/20 0.47
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 4/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL12286181 0.91 L3MBTL1 (0.61) PDPK1KMT2AL3MBTL1TDP1POLB
SCHEMBL23531267 0.86 PDPK1 (0.61) PDPK1KMT2AL3MBTL1TDP1NPSR1
SCHEMBL909083 0.82 PDPK1 (0.57) PDPK1KMT2AL3MBTL1TDP1NPSR1
SCHEMBL32689546 0.80 PDPK1 (0.59) PDPK1KMT2AL3MBTL1TDP1POLB
SCHEMBL14602841 0.79 PDPK1 (0.51) PDPK1KMT2AATMNPC1MEN1
SCHEMBL28937529 0.79 PDPK1 (0.51) PDPK1KMT2AATMNPC1MEN1
SCHEMBL14602856 0.79 PDPK1 (0.51) PDPK1KMT2AATMNPC1MEN1
SCHEMBL2563387 0.79 L3MBTL1 (0.63) PDPK1KMT2AL3MBTL1TDP1POLB
SCHEMBL12285825 0.78 TDP1 (0.53) PDPK1KMT2AL3MBTL1TDP1POLB
SCHEMBL12286264 0.78 L3MBTL1 (0.61) PDPK1KMT2AL3MBTL1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed