SCHEMBL4348068

SCHEMBL4348068

CCCCCCC(OCC)C(CO)OCCOc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
ESR1 P03372 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
ADRB2 P07550 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
MAOA P21397 1/20 0.45
CNR1 P21554 1/20 0.45
SLC6A2 P23975 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
SCHEMBL28741361 0.82 LTA4H (0.50) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL7124634 0.82 LTA4H (0.50) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL28977368 0.76 LTA4H (0.50) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL18139550 0.76 PPARG (0.52) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL18141308 0.76 PPARG (0.52) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL18141048 0.76 PPARG (0.52) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL18141576 0.76 PPARG (0.52) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL18140950 0.76 PPARG (0.52) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL18141332 0.76 PPARG (0.52) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL18140720 0.76 PPARG (0.52) LTA4HMLNRNR1I2ESR1NR3C1

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
EP-2036535-A1 Vitamin containing cream Beauté Pacifique ApS (DK) 2009-03-18 EP claimed