SCHEMBL28049795

SCHEMBL28049795

CCCCCOCCOc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.70
KCNA3 P22001 1/20 0.61
MLNR O43193 1/20 0.56
NR1I2 O75469 1/20 0.56
ESR1 P03372 1/20 0.56
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
ADRB2 P07550 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRB1 P08588 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
CHRM3 P20309 1/20 0.56
MAOA P21397 1/20 0.56
CNR1 P21554 1/20 0.56

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
SCHEMBL10456457 1.00 LTA4H (0.70) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL2487343 0.98 LTA4H (0.68) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL9407088 0.98 LTA4H (0.68) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL2487018 0.98 LTA4H (0.68) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL7923425 0.98 LTA4H (0.68) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL2484231 0.98 LTA4H (0.68) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL2485877 0.98 LTA4H (0.68) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL969026 0.98 LTA4H (0.68) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL9354328 0.98 LTA4H (0.68) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL9192236 0.98 LTA4H (0.68) 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
CN-102732080-B Low VOC/ Diamond Search glycol ether-ester and be used as cleaning solvent and lacquer diluent DOW GLOBAL TECHNOLOGIES INC. (US) 2016-01-20 CN disclosed