SCHEMBL11265773

SCHEMBL11265773

C=CC(NC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPK3 P27361 1/20 0.46
▸ ASAH1 Q13510 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SQOR Q9Y6N5 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GRIA1 P42261 1/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ GRIA3 P42263 1/20 0.42
▸ GRIA4 P48058 1/20 0.42
▸ GRIK5 Q16478 1/20 0.42

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
Acetic Acid SCHEMBL28377838 0.77 LMNA (0.52) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL11741360 0.74 LMNA (0.61) LMNACYP3A4CYP2D6MAPK3ASAH1
Acetic Acid SCHEMBL28371708 0.73 LMNA (0.54) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL11731941 0.72 LMNA (0.50) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL11555067 0.72 — —
SCHEMBL10459087 0.70 ASAH1 (0.72) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL11239635 0.69 LMNA (0.70) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL11602434 0.69 LMNA (0.56) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL10632769 0.68 SMN1; SMN2 (0.46) LMNACYP3A4CYP2D6MAPK3ASAH1
Acetic Acid SCHEMBL28371629 0.68 LMNA (0.58) LMNACYP3A4CYP2D6MAPK3ASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54027578-A — — None — — JP disclosed
JP-57028066-A — — None — — JP disclosed
JP-S5728066-A GLYCEROL DERIVATIVE OF 5-FLUOROURACIL SANKYO CO LTD 1982-02-15 — — JP disclosed
JP-S5427578-A 1-CARBOXYALKYLCARBAMOYL-5-FLUOROURACIL DERIVATIVES AND THEIR PREPARATION MITSUI TOATSU CHEM INC 1979-03-01 — — JP disclosed
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