SCHEMBL28293944

SCHEMBL28293944

CC/C=C\CCOC(=O)CNC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
NR1I2 O75469 2/20 0.36
PTGS2 P35354 2/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PDE4D Q08499 1/20 0.36
FAAH O00519 2/20 0.36
MAPT P10636 3/20 0.35
CNR1 P21554 2/20 0.35
THRB P10828 1/20 0.35
LPAR2 Q9HBW0 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
LPAR1 Q92633 1/20 0.34
MGLL Q99685 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4110620 0.80 GAA (0.38) ALDH1A1TDP1MAPTGAAMEN1
SCHEMBL28158274 0.79 MEN1 (0.36) ALDH1A1TDP1TSHRMAPTGAA
SCHEMBL28194383 0.78 FAAH (0.34) ALDH1A1CYP3A4FAAHMAPTCNR1
SCHEMBL7694874 0.77 MGAM (0.46) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL7694877 0.77 MGAM (0.46) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL28195253 0.77 NAAA (0.44) ALDH1A1TDP1FAAHMAPTGAA
SCHEMBL4104132 0.76 GAA (0.53) ALDH1A1ALOX15TSHRMAPTGAA
SCHEMBL27924099 0.76 NAAA (0.52) TDP1FAAH
SCHEMBL23028673 0.74 MEN1 (0.33) ALOX15TDP1TSHRGAAMEN1
SCHEMBL11070272 0.74 NAAA (0.55) TSHRFAAH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110074143-A A kind of composition and preparation method thereof for luring tea seed weevil adult 金华市农业科学研究院 2019-08-02 CN claimed
CN-110074143-A A kind of composition and preparation method thereof for luring tea seed weevil adult 金华市农业科学研究院 2019-08-02 CN disclosed
CN-110074143-A A kind of composition and preparation method thereof for luring tea seed weevil adult 金华市农业科学研究院 2019-08-02 CN disclosed
CN-106973897-B Viscose for trapping and killing fruit flies and preparation method thereof 广东远丰农业发展有限公司 2019-07-23 CN disclosed
CN-109922781-A 1- [(the 4R) -4- methylcyclohexene -1- base] purposes of ethyl ketone as aromachemicals 巴斯夫欧洲公司 2019-06-21 CN disclosed
CN-109715771-A Spice composition 三菱瓦斯化学株式会社 2019-05-03 CN disclosed