SCHEMBL28814512

SCHEMBL28814512

CCCCCCCC(COc1ccccc1)c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
LMNA P02545 2/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ESR1 P03372 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL27980654 1.00 LTA4H (0.43) LTA4HLMNACYSLTR2CYSLTR1MLNR
SCHEMBL27980906 1.00 LTA4H (0.43) LTA4HLMNACYSLTR2CYSLTR1MLNR
SCHEMBL27980710 1.00 LTA4H (0.43) LTA4HLMNACYSLTR2CYSLTR1MLNR
SCHEMBL27980776 0.99 LTA4H (0.44) LTA4HLMNACYSLTR2CYSLTR1MLNR
SCHEMBL27980905 0.94 LMNA (0.45) LTA4HLMNACYSLTR2CYSLTR1MAOA
SCHEMBL27980694 0.91 LTA4H (0.38) LTA4HLMNACYSLTR2CYSLTR1MLNR
SCHEMBL27980782 0.88 LMNA (0.47) LTA4HLMNAADRB2ADRB1MAOA
SCHEMBL984167 0.85 TSHR (0.50) CYSLTR2CYSLTR1ALDH1A1HTTTSHR
SCHEMBL983265 0.85 TSHR (0.50) CYSLTR2CYSLTR1ALDH1A1HTTTSHR
SCHEMBL980005 0.85 TSHR (0.50) CYSLTR2CYSLTR1ALDH1A1HTTTSHR

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-102471244-B Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-09-24 CN disclosed