SCHEMBL28819331

SCHEMBL28819331

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.47
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
MMP12 P39900 2/20 0.47
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
BLM P54132 1/20 0.38
WRN Q14191 1/20 0.38
HIF1A Q16665 1/20 0.38
GAA P10253 2/20 0.37
DPP4 P27487 5/20 0.36
NAAA Q02083 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL28220495 0.86 MMP2 (0.44) MMP2MMP1MMP9MMP12ALDH1A1
SCHEMBL44032 0.81 MMP2 (0.49) MMP2MMP1MMP9MMP12ALDH1A1
SCHEMBL721553 0.81 MAOB (0.52) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL27564590 0.76 ALDH1A1 (0.55) MMP2MMP1MMP9MMP12ALDH1A1
SCHEMBL17552772 0.76 RIPK1 (0.43) MMP2MMP1MMP9MMP12DPP4
SCHEMBL30620176 0.74 KMT2A (0.43) HPGDNPSR1GAADPP4
SCHEMBL15490071 0.74 KMT2A (0.43) HPGDNPSR1GAADPP4
SCHEMBL15733642 0.74 DPP4 (0.34) MMP2MMP1MMP9MMP12DPP4
SCHEMBL31377926 0.74 RIPK1 (0.44) MMP2MMP1MMP9MMP12ALDH1A1
SCHEMBL21490293 0.73 MMP2 (0.46) MMP2MMP1MMP9MMP12ALDH1A1

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
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