SCHEMBL9670950

SCHEMBL9670950

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLS2 Q9UI32 3/20 0.35
SIGMAR1 Q99720 1/20 0.34
PDCD4 Q53EL6 2/20 0.33
ALOX5 P09917 1/20 0.33
FAAH O00519 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LTA4H P09960 1/20 0.32
LTB4R Q15722 1/20 0.32
SMPD1 P17405 1/20 0.32
PRKCA P17252 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
SCHEMBL9671037 1.00 GLS2 (0.35) GLS2SIGMAR1PDCD4ALOX5FAAH
SCHEMBL7295059 1.00 GLS2 (0.35) GLS2SIGMAR1PDCD4ALOX5FAAH
SCHEMBL9325034 1.00 GLS2 (0.35) GLS2SIGMAR1PDCD4ALOX5FAAH
Benzene SCHEMBL9326381 0.97 ALDH1A1 (0.36) GLS2SIGMAR1PDCD4ALOX5ALDH1A1
SCHEMBL9671361 0.95 SIGMAR1 (0.35) SIGMAR1ALDH1A1PRKCA
SCHEMBL9803456 0.90 GLS2 (0.34) GLS2SIGMAR1PDCD4ALOX5FAAH
SCHEMBL9671631 0.90 ALOX5 (0.42) SIGMAR1ALOX5
SCHEMBL9670731 0.90 ALOX5 (0.42) SIGMAR1ALOX5
SCHEMBL9671482 0.89 SIGMAR1 (0.33) SIGMAR1ALOX5FAAHALDH1A1
SCHEMBL9325309 0.88 LMNA (0.42) ALDH1A1PRKCA

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
EP-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP disclosed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed