SCHEMBL20184233

SCHEMBL20184233

O=C(O)c1c(F)ccc(CO)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.38
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
PTPN1 P18031 1/20 0.36
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
MEP1B Q16820 2/20 0.35
MEP1A Q16819 1/20 0.35
FABP4 P15090 1/20 0.35
TSHR P16473 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CAT P04040 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
AGTR1 P30556 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL7799718 0.84 METAP2 (0.39) METAP2CES2CES1MEP1BMEP1A
SCHEMBL1671719 0.84 CES2 (0.40) METAP2CES2CES1MEP1BMEP1A
SCHEMBL16421062 0.82 CES2 (0.34) CES2CES1ALDH1A1CA2
SCHEMBL16850296 0.81 METAP2 (0.37) METAP2MMP2MMP3MMP9PTPN1
SCHEMBL31258574 0.78 CES2 (0.47) CES2CES1FABP4TSHRCAT
SCHEMBL365563 0.78 CES2 (0.47) CES2CES1FABP4TSHRCAT
SCHEMBL18006678 0.78 ALDH1A1 (0.42) MEP1BMEP1ATDP1KDM4EMEN1
SCHEMBL3431160 0.78 FOLH1 (0.47) MMP2MMP3MMP9PTPN1TSHR
SCHEMBL6125197 0.77 METAP2 (0.46) METAP2MMP2MMP3MMP9PTPN1
SCHEMBL2834374 0.75 DPP4 (0.31) MEP1BMEP1AFABP4CYP1A2CA12

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
EP-3149103-B1 TRACERS RESTRACK AS (NO) 2018-05-30 EP disclosed