SCHEMBL21728215

SCHEMBL21728215

C=CCOc1cc(F)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR2C P28335 7/20 0.46
HTR2A P28223 6/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2B P41595 4/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LIG1 P18858 1/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37
ADRB2 P07550 1/20 0.37

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
SCHEMBL7623243 0.81 MAPT (0.49) MAPTL3MBTL1HTR2CHTR2AALDH1A1
SCHEMBL7816047 0.81 HPGD (0.51) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL10749351 0.81 KDM4E (0.56) MAPTL3MBTL1HTR2CHTR2AALDH1A1
SCHEMBL22215813 0.80 ALDH1A1 (0.50) MAPTALDH1A1HPGDADRA2AADRA2B
SCHEMBL14206692 0.80 ALDH1A1 (0.43) MAPTALDH1A1HPGDTSHRMAPK1
SCHEMBL17848515 0.80 MAPT (0.48) MAPTL3MBTL1HTR2CHTR2AALDH1A1
SCHEMBL25322559 0.79 GAA (0.54) MAPTHTR2CHTR2AALDH1A1HPGD
SCHEMBL21728084 0.79 HPGD (0.53) MAPTALDH1A1HPGDTSHRMAPK1
SCHEMBL18191246 0.79 MAPT (0.47) MAPTL3MBTL1HTR2CHTR2AHPGD
SCHEMBL324631 0.79 MAPT (0.47) MAPTL3MBTL1HTR2CHTR2AFFAR1

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