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Sugi Predict / Compounds / SCHEMBL13979976

SCHEMBL13979976

SCHEMBL13979976

COP(=O)(OC)Oc1ccc2c(c1)c(C(=O)Oc1c(C)cc(C(=O)OCc3ccccc3)cc1C)c1ccccc1[n+]2CCCCS(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL5664032 0.94 PLA2G2A (0.31) PLA2G2A
SCHEMBL5663898 0.92 NPC1 (0.35) PLA2G2AL3MBTL1
SCHEMBL13223666 0.87 DHODH (0.36) PLA2G2AL3MBTL1
SCHEMBL13633578 0.86 NPC1 (0.35) L3MBTL1
SCHEMBL4193149 0.86 NPC1 (0.35) L3MBTL1
SCHEMBL7534324 0.86 MAPT (0.33) PLA2G2AL3MBTL1
SCHEMBL13979978 0.84 PLA2G2A (0.32) PLA2G2A
SCHEMBL4178411 0.83 NPC1 (0.35) L3MBTL1
SCHEMBL4191631 0.82 LCK (0.34) —
SCHEMBL13633607 0.81 MAPT (0.35) L3MBTL1

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
US-7459284-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-12-02 — — US disclosed