SCHEMBL793083

SCHEMBL793083

CCCCCOc1ccc(C(=O)CCc2ccccn2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
THRA P10827 6/20 0.47
THRB P10828 6/20 0.47
MAOB P27338 5/20 0.46
PLA2G2A P14555 1/20 0.44
PTPN11 Q06124 1/20 0.44

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
SCHEMBL3704809 0.89 KDM4E (0.59) KDM4EMAPTHPGDHSD17B10MAOB
SCHEMBL787766 0.86 MAPT (0.61) KDM4EMAPTHTTHPGD
SCHEMBL30134679 0.86 MAPT (0.61) KDM4EMAPTHTTHPGD
SCHEMBL787535 0.83 MAPT (0.56) KDM4EMAPTMAOB
SCHEMBL30777576 0.83 MAPT (0.56) KDM4EMAPTMAOB
SCHEMBL13856728 0.81 HTT (0.60) HTTTHRATHRBMAOBPLA2G2A
SCHEMBL3703417 0.81 KDM4E (0.53) KDM4EMAPTHTT
SCHEMBL4568616 0.80 KDM4E (0.52) KDM4EMAPTMAOB
SCHEMBL933781 0.78 KDM4E (0.51) KDM4EMAPTHTTHPGD
SCHEMBL3698715 0.77 KDM4E (0.51) KDM4EMAPT

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-20130302497-A1 Taste Enhancement GIVAUDAN S.A. (CH) 2013-11-14 US disclosed
EP-2615930-A2 TASTE ENHANCEMENT Givaudan SA (CH) 2013-07-24 EP disclosed
WO-2012035032-A2 TASTE ENHANCEMENT GIVAUDAN SA (CH) 2012-03-22 WO disclosed