SCHEMBL29009873

SCHEMBL29009873

O=C(O)C(F)c1cc(F)c(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
CES2 O00748 5/20 0.35
CES1 P23141 5/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
EIF4A3 P38919 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
SCHEMBL29009857 0.81 PDE2A (0.38)
SCHEMBL29009822 0.80 CES2 (0.38) SLC1A3SLC1A2SLC1A1CES2CES1
SCHEMBL6902621 0.79 SRC (0.36) SLC1A3SLC1A2SLC1A1CES2CES1
SCHEMBL3065996 0.78 CES2 (0.53) CES2CES1CA1CA2
SCHEMBL16681214 0.78 CES2 (0.53) CES2CES1
SCHEMBL5085546 0.77 CES2 (0.39) SLC1A3SLC1A2SLC1A1CES2CES1
SCHEMBL5085545 0.77 CES2 (0.39) SLC1A3SLC1A2SLC1A1CES2CES1
SCHEMBL29653910 0.77 CES2 (0.39) SLC1A3SLC1A2SLC1A1CES2CES1
SCHEMBL27876501 0.77
SCHEMBL7465838 0.76 PTGS1 (0.33) SLC1A3SLC1A2SLC1A1CES2CES1

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-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed