SCHEMBL27929289

SCHEMBL27929289

COc1c(F)cc(C(=O)O)c(Br)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
GPR35 Q9HC97 1/20 0.41
TPMT P51580 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEP1B Q16820 1/20 0.38
PTPN1 P18031 2/20 0.37
PKM P14618 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL27486423 0.86 HSD17B10 (0.49) HSD17B10LCKFYNGPR35TPMT
SCHEMBL28031715 0.85 SOS1 (0.42) HSD17B10ALDH1A1HPGDKDM4EMEP1B
SCHEMBL6422815 0.84 HSD17B10 (0.44) HSD17B10LCKFYNTPMTALDH1A1
SCHEMBL7010260 0.83 HSD17B10 (0.49) HSD17B10LCKFYNGPR35TPMT
SCHEMBL25256255 0.81 HSD17B10 (0.54) HSD17B10LCKFYNGPR35TPMT
SCHEMBL28583415 0.81 MEN1 (0.42) HSD17B10LCKFYNALDH1A1KDM4E
SCHEMBL28424948 0.80 HSD17B10 (0.44) HSD17B10LCKFYNTPMTALDH1A1
SCHEMBL20551451 0.79 ALDH1A1 (0.41) HSD17B10LCKFYNTPMTALDH1A1
SCHEMBL27875674 0.79 HSD17B10 (0.41) HSD17B10LCKFYNTPMTALDH1A1
SCHEMBL27540803 0.78 HSD17B10 (0.50) HSD17B10LCKFYNGPR35TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103467294-B The preparation method of a kind of 3-bromo-4-difluoro-methoxy-benzoic acid methyl esters SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-09-23 CN claimed
CN-103467294-A 3-bromo-4-difluoromethoxy methyl benzoate preparation method SHANGHAI INST PHARM INDUSTRY 2013-12-25 CN claimed
CN-103467294-A 3-bromo-4-difluoromethoxy methyl benzoate preparation method SHANGHAI INST PHARM INDUSTRY 2013-12-25 CN disclosed