SCHEMBL21728039

SCHEMBL21728039

C=CCOc1cccc(F)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
LIG1 P18858 1/20 0.41
HTR2C P28335 6/20 0.40
HTR2B P41595 5/20 0.40
KDM4E B2RXH2 2/20 0.40
HTR2A P28223 3/20 0.39
ADRB2 P07550 2/20 0.39
HTR1A P08908 2/20 0.39
SLC6A4 P31645 2/20 0.39

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
SCHEMBL9768377 0.87 ADRA2A (0.50) MAPTL3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL1727026 0.81 ALDH1A1 (0.53) MAPTL3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL5460266 0.81 HTR2C (0.46) MAPTL3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL11601509 0.81 HPGD (0.51) MAPTL3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL21736938 0.79 ADRA2A (0.42) MAPTL3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL14236454 0.79 HTR2C (0.50) MAPTL3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL2060735 0.79 MAPT (0.43) MAPTL3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL11144150 0.79 MRGPRX4 (0.44) MAPTL3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL29496131 0.79 LIG1 (0.44) MAPTL3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL29520257 0.79 MAPT (0.43) MAPTL3MBTL1ADRA2AADRA2BADRA2C

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-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed