SCHEMBL9745263

SCHEMBL9745263

CCCCCCCCCCCCC(OC(=O)CCCBr)c1coc([Si](C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
CTSK P43235 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
ELANE P08246 4/20 0.34
ALDH1A1 P00352 2/20 0.34
FAAH O00519 4/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
PRKCA P17252 4/20 0.33
HPGD P15428 1/20 0.33
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL9325309 0.94 LMNA (0.42) LMNAMAPTMAPK1ELANEALDH1A1
SCHEMBL9745062 0.90 PPARG (0.39) LMNAMAPTMAPK1ELANE
SCHEMBL9746538 0.90 LMNA (0.36) LMNAMAPTMAPK1ELANEALDH1A1
SCHEMBL9327442 0.85 FAAH (0.39) FAAHPRKCA
SCHEMBL9128899 0.85 LMNA (0.38) LMNAMAPTMAPK1ELANEALDH1A1
SCHEMBL9670950 0.84 GLS2 (0.35) ALDH1A1FAAHPRKCA
SCHEMBL9671037 0.84 GLS2 (0.35) ALDH1A1FAAHPRKCA
SCHEMBL9325034 0.84 GLS2 (0.35) ALDH1A1FAAHPRKCA
SCHEMBL7295059 0.84 GLS2 (0.35) ALDH1A1FAAHPRKCA
SCHEMBL9669998 0.83 TLR2 (0.39) FAAHPRKCA

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
US-5089485-A ANTI-INFLAMMATORY FURANONES ALLERGAN, INC. (US) 1992-02-18 US disclosed
EP-0369811-A2 Anti-inflammatory furanones ALLERGAN, INC (US) 1990-05-23 EP disclosed