SCHEMBL13764460

SCHEMBL13764460

CCCC(=O)c1c(O)cc(OCc2ccccc2)cc1OCC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC5A1 P13866 4/20 0.42
SLC5A2 P31639 4/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
EGFR P00533 2/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCL1 Q07820 1/20 0.39
PARP10 Q53GL7 1/20 0.39

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
SCHEMBL13764463 0.81 FASN (0.47) MEN1KMT2ASLC5A1SLC5A2GAA
SCHEMBL1728212 0.80 SLC5A1 (0.52) MAOBSLC5A1SLC5A2GAAMAPT
SCHEMBL658101 0.79 MAOB (0.61) MAOBMEN1KMT2ASLC5A1SLC5A2
SCHEMBL30141054 0.79 MAOB (0.61) MAOBMEN1KMT2ASLC5A1SLC5A2
SCHEMBL23422279 0.78 MEN1 (0.49) MAOBMEN1KMT2ASLC5A1SLC5A2
SCHEMBL29565658 0.78 MEN1 (0.49) MAOBMEN1KMT2ASLC5A1SLC5A2
SCHEMBL4273295 0.77 FFAR1 (0.60) MEN1KMT2ASLC5A1SLC5A2GAA
SCHEMBL13764461 0.75 SLC5A1 (0.45) MAOBMEN1KMT2ASLC5A1SLC5A2
SCHEMBL14181066 0.75 MAOB (0.68) MAOBMEN1KMT2ASLC5A1SLC5A2
SCHEMBL21275494 0.74 CYP3A4 (0.49) MAOBMEN1KMT2ASLC5A1SLC5A2

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
US-7566699-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed