SCHEMBL787524

SCHEMBL787524

CCCCCOc1ccc(CC(=O)Cc2ccccn2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CNR2 P34972 12/20 0.45
CNR1 P21554 4/20 0.45
PTPN11 Q06124 1/20 0.45
PLA2G4B P0C869 1/20 0.45

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
SCHEMBL991232 0.84 L3MBTL1 (0.55) KDM4EMAPT
SCHEMBL15751641 0.83 KDM4E (0.51) KDM4EMAPT
SCHEMBL793083 0.76 KDM4E (0.55) KDM4EMAPTHPGDHSD17B10PTPN11
SCHEMBL11551593 0.76 PTPN11 (0.54) MAPTCNR2CNR1PTPN11PLA2G4B
SCHEMBL29167621 0.74 PTPN11 (0.46) MAPTHPGDHSD17B10CNR2CNR1
SCHEMBL356002 0.73 HSD17B10 (0.56) KDM4EMAPTHPGDHSD17B10
SCHEMBL6911822 0.73 LMNA (0.48) KDM4EHPGDHSD17B10
Water SCHEMBL8818123 0.72 HSD17B10 (0.55) KDM4EMAPTHPGDHSD17B10
SCHEMBL11234921 0.72 LMNA (0.49) KDM4EHPGDHSD17B10
SCHEMBL16887463 0.72 HPGD (0.47) KDM4EHPGDHSD17B10

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-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