SCHEMBL7294186

SCHEMBL7294186

CCCCCCCCCCCC(OC(C)=O)C(OC(C)=O)c1coc([Si](C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.35
GLS2 Q9UI32 3/20 0.35
PDCD4 Q53EL6 2/20 0.34
LTB4R Q15722 1/20 0.32
FAAH O00519 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LTA4H P09960 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
SCHEMBL9325034 0.84 GLS2 (0.35) GLS2PDCD4LTB4RFAAHALDH1A1
SCHEMBL7295059 0.84 GLS2 (0.35) GLS2PDCD4LTB4RFAAHALDH1A1
SCHEMBL9670950 0.84 GLS2 (0.35) GLS2PDCD4LTB4RFAAHALDH1A1
SCHEMBL9671037 0.84 GLS2 (0.35) GLS2PDCD4LTB4RFAAHALDH1A1
Benzene SCHEMBL9326381 0.82 ALDH1A1 (0.36) GLS2PDCD4LTB4RALDH1A1
SCHEMBL9671361 0.79 SIGMAR1 (0.35) ALDH1A1
SCHEMBL10431816 0.75 PRKCA (0.34) LTA4H
SCHEMBL9671527 0.75 CA2 (0.40) LTB4RALDH1A1
SCHEMBL7301168 0.75 CA2 (0.40) LTB4RALDH1A1
SCHEMBL7303995 0.75 CA2 (0.40) LTB4RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5376676-A Process of using anti-inflammatory furanones as selective calcium channel inhibitors ALLERGAN, INC. (US) 1994-12-27 US disclosed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
US-5045564-A Calcium channel antagonists ALLERGAN, INC. (US) 1991-09-03 US disclosed
EP-0372941-A2 Anti-inflammatory 5-hydroxy-2-furanones ALLERGAN, INC (US) 1990-06-13 EP disclosed
EP-0372940-A2 Anti-inflammatory 2-furanones ALLERGAN, INC (US) 1990-06-13 EP disclosed