SCHEMBL28036255

SCHEMBL28036255

CC1=CC(=O)C=C(F)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ USP2 O75604 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ PLIN1 O60240 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ GSR P00390 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL21463 0.80 MAPT (0.41) DDAH1MAPTMEN1USP2MAPK1
SCHEMBL4798822 0.80 KDM4E (0.35) MAPTMEN1USP2MAPK1KMT2A
Duroquinone SCHEMBL11408085 0.72 DDAH1 (0.36) DDAH1MAPTMEN1USP2MAPK1
SCHEMBL31415084 0.68 ALOX5 (0.46) ALOX5
SCHEMBL5160971 0.68 MAPT (0.40) DDAH1MAPTMEN1USP2MAPK1
SCHEMBL9004447 0.68 ALOX5 (0.52) DDAH1MAPTMEN1USP2MAPK1
SCHEMBL31415083 0.68 — —
SCHEMBL5457397 0.68 MAPT (0.40) DDAH1MAPTMEN1USP2MAPK1
SCHEMBL684719 0.65 MAPT (0.73) DDAH1MAPTMEN1USP2MAPK1
SCHEMBL2682760 0.65 S100A4 (0.41) DDAH1MAPTMEN1USP2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105098235-A Lithium ion secondary battery and electrolyte thereof AMPEREX TECHNOLOGY LTD 2015-11-25 — — CN claimed
CN-105098235-A Lithium ion secondary battery and electrolyte thereof AMPEREX TECHNOLOGY LTD 2015-11-25 — — CN disclosed
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