SCHEMBL13447354

SCHEMBL13447354

O=C(ON1C(=O)CCC1=O)c1ccc(CNC(=O)C(F)(F)F)c(C(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 1/20 0.33
▸ TAOK1 Q7L7X3 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ P2RX7 Q99572 11/20 0.32
▸ EPHX2 P34913 4/20 0.32
▸ NR1H4 Q96RI1 2/20 0.32
▸ PRKG1 Q13976 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MGLL Q99685 1/20 0.30

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
SCHEMBL26169637 0.80 EPHX2 (0.40) P2RX7EPHX2NR1H4LMNA
SCHEMBL18716200 0.80 ALDH1A1 (0.36) MGLL
SCHEMBL12993049 0.80 EPHX2 (0.46) CDK5TAOK1CLK4EPHX2NR1H4
SCHEMBL13844973 0.79 CA12 (0.35) MGLL
SCHEMBL26169644 0.76 EPHX2 (0.40) EPHX2NR1H4LMNA
SCHEMBL26169654 0.76 EPHX2 (0.40) EPHX2NR1H4LMNA
SCHEMBL12756281 0.73 MAPK1 (0.35) LMNAMGLL
SCHEMBL26167881 0.71 P2RX7 (0.40) P2RX7EPHX2
SCHEMBL13198116 0.69 KLK1 (0.32) —
SCHEMBL12137652 0.69 P2RX7 (0.38) P2RX7EPHX2

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
US-7687236-B2 Fluorescent nucleobase conjugates having anionic linkers APPLIED BIOSYSTEMS, LLC (US) 2010-03-30 — — US disclosed
US-20090092986-A1 Fluorescent Nucleobase Conjugates Having Anionic Linkers APPLIED BIOSYSTEMS INC. (US) 2009-04-09 — — US disclosed
US-7429651-B2 Fluorescent nucleobase conjugates having anionic linkers APPLERA CORPORATION (US) 2008-09-30 — — US disclosed
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