SCHEMBL6036675

SCHEMBL6036675

CCCCCCCCCCCCCCCCC[CH]Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
KCNH2 Q12809 3/20 0.44
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
ADRB2 P07550 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
MAOA P21397 1/20 0.44
CNR1 P21554 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
SCHEMBL10334473 1.00 LTA4H (0.46) LTA4HKCNH2MLNRNR1I2ESR1
SCHEMBL27947956 1.00 LTA4H (0.46) LTA4HKCNH2MLNRNR1I2ESR1
SCHEMBL5073229 1.00 LTA4H (0.46) LTA4HKCNH2MLNRNR1I2ESR1
SCHEMBL10420432 1.00 LTA4H (0.46) LTA4HKCNH2MLNRNR1I2ESR1
SCHEMBL10639345 1.00 LTA4H (0.46) LTA4HKCNH2MLNRNR1I2ESR1
SCHEMBL1720912 1.00 LTA4H (0.46) LTA4HKCNH2MLNRNR1I2ESR1
SCHEMBL2941920 1.00 LTA4H (0.46) LTA4HKCNH2MLNRNR1I2ESR1
SCHEMBL650880 0.98 LTA4H (0.47) LTA4HKCNH2MLNRNR1I2ESR1
SCHEMBL652685 0.92 LTA4H (0.47) LTA4HKCNH2MLNRNR1I2ESR1
SCHEMBL28423845 0.90 RARB (0.42) LTA4HCYP3A4MAPK1PPARAPPARG

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-1636294-A2 SYNTHESIS METHOD FOR A COMPOUND USED TO FORM A SELF-ASSEMBLED MONOLAYER, COMPOUND FOR FORMING A SELF-ASSEMBLED MONOLAYER, AND LAYER STRUCTURE FOR A SEMICONDUCTOR COMPONENT Infineon Technologies AG (DE) 2006-03-22 EP disclosed
WO-2004113419-A2 SYNTHESIS METHOD FOR A COMPOUND USED TO FORM A SELF-ASSEMBLED MONOLAYER, COMPOUND FOR FORMING A SELF-ASSEMBLED MONOLAYER, AND LAYER STRUCTURE FOR A SEMICONDUCTOR COMPONENT INFINEON TECHNOLOGIES AG (DE) 2004-12-29 WO disclosed