SCHEMBL28460740

SCHEMBL28460740

COC(CCCOc1ccccc1-c1cccc(F)c1)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRB2 P07550 3/20 0.41
HTR7 P34969 3/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HTR1A P08908 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 1/20 0.38
CHRM3 P20309 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL12968482 0.82 CYP1A2 (0.50) FYNADRA2AADRA2BADRA2CADRB2
SCHEMBL15473213 0.80 ADRB2 (0.48) FYNADRA2AADRA2BADRA2CADRB2
SCHEMBL18071656 0.77 TP53 (0.45) FYNADRA2AADRA2BADRA2CADRB2
SCHEMBL12958354 0.77 IDO1 (0.48) FYNADRA2AADRA2BADRA2CADRB2
SCHEMBL24017210 0.75 FYN (0.56) FYNADRA2AADRA2BADRA2CHTR7
SCHEMBL28460741 0.73 FFAR4 (0.39) ADRB2HTR7ALOX5APFEN1TP53
SCHEMBL29628959 0.72 FYN (0.54) FYNADRA2AADRA2BADRA2CHTR7
SCHEMBL28172038 0.72 ALOX5AP (0.40) ADRB2HTR7ALOX5APFEN1TP53
SCHEMBL28459155 0.72 HTR7 (0.44) ADRA2AADRA2BADRA2CHTR7ALOX5AP
SCHEMBL8780384 0.69 HTR7 (0.58) ADRB2HTR7TP53MAPK1RAB9A

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-107108541-B Method for producing butyrolactone compound 日产化学工业株式会社 2020-06-19 CN disclosed