SCHEMBL44032

SCHEMBL44032

CC(=O)OCc1cc(F)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.49
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
DPP4 P27487 5/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
MAOB P27338 2/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.35

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
SCHEMBL13034143 0.87 HSD17B10 (0.41) MMP2MMP1MMP9MMP12ALDH1A1
SCHEMBL6906606 0.82 CYP4F2 (0.45) MMP2MMP1MMP9MMP12ALDH1A1
SCHEMBL28819331 0.81 MMP2 (0.47) MMP2MMP1MMP9MMP12ALDH1A1
SCHEMBL13034155 0.79 MMP2 (0.54) MMP2MMP1MMP9MMP12ALDH1A1
SCHEMBL13034123 0.79 MAOB (0.59) MMP2MMP1MMP9MMP12ALDH1A1
SCHEMBL3293016 0.78 ALDH1A1 (0.52) ALDH1A1CYP3A4KDM4EHSD17B10PTGS2
SCHEMBL13034141 0.78 ALDH1A1 (0.51) MMP2MMP1MMP9MMP12ALDH1A1
SCHEMBL28220495 0.78 MMP2 (0.44) MMP2MMP1MMP9MMP12ALDH1A1
SCHEMBL27752252 0.78 MRGPRX4 (0.47) MMP2MMP1MMP9MMP12ALDH1A1
SCHEMBL13034145 0.77 MEN1 (0.53) ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773147-A Preparation method of 2,4, 5-trifluorobenzyl bromide 浙江永太科技股份有限公司 2022-07-22 CN disclosed
WO-2011157444-A1 FUNCTIONALIZED MATERIALS BY CATALYZED CARBENE COPOLYMERIZATION STICHTING DUTCH POLYMER INSTITUTE (NL) 2011-12-22 WO disclosed