SCHEMBL8416291

SCHEMBL8416291

CO/N=C\c1ccccc1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.46
TDP1 Q9NUW8 1/20 0.41
SRC P12931 1/20 0.41
MMP2 P08253 4/20 0.40
MMP12 P39900 4/20 0.40
MMP8 P22894 3/20 0.40
MMP13 P45452 3/20 0.40
MMP14 P50281 3/20 0.40
MMP16 P51512 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CXCL8 P10145 4/20 0.40
MMP9 P14780 3/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL9016420 1.00 AKR1B1 (0.46) AKR1B1TDP1SRCMMP2MMP12
SCHEMBL8343067 1.00 AKR1B1 (0.46) AKR1B1TDP1SRCMMP2MMP12
SCHEMBL9016544 0.83 AKR1B1 (0.44) AKR1B1TDP1SRCALDH1A1MAPT
SCHEMBL9016532 0.83 AKR1B1 (0.44) AKR1B1TDP1SRCALDH1A1MAPT
SCHEMBL8435831 0.82 USP2 (0.46) TDP1ALDH1A1LMNAMAPTMEN1
SCHEMBL13469228 0.81 ADRA1D (0.40) SRCALDH1A1LMNAMAPTMAPK1
SCHEMBL8460117 0.81 ADRA1D (0.40) SRCALDH1A1LMNAMAPTMAPK1
SCHEMBL24228532 0.80 ADRA1D (0.39) SRCALDH1A1LMNAMAPTMAPK1
SCHEMBL9016481 0.80 AKR1B1 (0.52) AKR1B1TDP1SRCALDH1A1LMNA
SCHEMBL8338530 0.80 AKR1B1 (0.52) AKR1B1TDP1SRCALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11171849-A None JP disclosed
CN-108368033-B Method for preparing trifloxystrobin GSP作物科学有限公司 2021-05-04 CN disclosed
WO-2013144924-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF STROBILURIN FUNGICIDES VIZ TRIFLOXYSTROBIN AND KRESOXIM-METHYL RALLIS INDIA LTD. (IN) 2013-10-03 WO disclosed
JP-H11171849-A PRODUCTION OF BENZYL BROMIDE DERIVATIVE SUMITOMO CHEM CO LTD 1999-06-29 JP disclosed