SCHEMBL12629871

SCHEMBL12629871

C[C@@H](NS(=O)(=O)CCCCCN/C=C(/F)C(N)=O)c1cccc(OCC2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 19/20 0.55
▸ ACACA Q13085 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
SCHEMBL12629725 0.81 DUT (0.56) DUTACACA
SCHEMBL12630534 0.81 DUT (0.67) DUTACACA
SCHEMBL21778447 0.81 DUT (0.64) DUT
SCHEMBL20351704 0.80 DUT (0.65) DUT
SCHEMBL21778441 0.80 DUT (0.68) DUT
SCHEMBL20351450 0.79 DUT (0.66) DUT
SCHEMBL20361933 0.79 DUT (0.66) DUTACACA
SCHEMBL12630548 0.79 DUT (0.66) DUTACACA
SCHEMBL12630854 0.79 DUT (0.57) DUT
SCHEMBL21690393 0.79 DUT (0.61) DUT

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
WO-2011065545-A1 5-FLUOROURACIL COMPOUND HAVING dUTPase-INHIBITING ACTIVITY OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2011-06-03 — — WO disclosed
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