SCHEMBL8199906

SCHEMBL8199906

CCCC[CH]COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
KCNA3 P22001 1/20 0.45
AOC3 Q16853 1/20 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

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
SCHEMBL7976810 0.94 LTA4H (0.53) LTA4HKCNA3AOC3MLNRNR1I2
SCHEMBL5491778 0.93 LTA4H (0.51) LTA4HKCNA3AOC3MLNRNR1I2
SCHEMBL18139179 0.93 LTA4H (0.51) LTA4HKCNA3AOC3MLNRNR1I2
SCHEMBL4579778 0.93 LTA4H (0.51) LTA4HKCNA3AOC3MLNRNR1I2
SCHEMBL64327 0.93 LTA4H (0.51) LTA4HKCNA3AOC3MLNRNR1I2
SCHEMBL7054100 0.88 LTA4H (0.47) LTA4HKCNA3AOC3MLNRNR1I2
SCHEMBL3667595 0.83 LTA4H (0.61) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL2319830 0.79 AOC3 (0.50) LTA4HKCNA3AOC3ALDH1A1LMNA
SCHEMBL1445312 0.79 AOC3 (0.58) LTA4HKCNA3AOC3DRD2DRD3
SCHEMBL6054693 0.79 LTA4H (0.53) LTA4HKCNA3MLNRNR1I2ESR1

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-6043227-A C11 carbamates of macrolide antibacterials PFIZER INC. (US) 2000-03-28 US disclosed