SCHEMBL9326459

SCHEMBL9326459

CCCCCCCCCCCCC(OC(=O)CCc1ccccc1)c1coc([Si](C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
HPGD P15428 1/20 0.38
PRKCA P17252 2/20 0.38
AKR1C3 P42330 1/20 0.37
FAAH O00519 2/20 0.37
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL9327442 0.95 FAAH (0.39) PTGESALOX5PPARGPRKCAFAAH
SCHEMBL9669998 0.93 TLR2 (0.39) PRKCAFAAHTLR2
SCHEMBL9326370 0.90 TSHR (0.41) PTGESALOX5PPARGPRKCAALDH1A1
SCHEMBL9325309 0.87 LMNA (0.42) PPARGPRKCAALDH1A1
SCHEMBL9745263 0.84 LMNA (0.37) HPGDPRKCAFAAHCTSKALDH1A1
SCHEMBL9745062 0.83 PPARG (0.39) ALOX5PPARG
SCHEMBL9746538 0.83 LMNA (0.36) PPARGHPGDPRKCAFAAHALDH1A1
SCHEMBL9670650 0.83 FAAH (0.40) FAAH
SCHEMBL9670938 0.83 CHRNB2 (0.39) PTGESALOX5PPARGHPGDALDH1A1
Benzene SCHEMBL9326381 0.82 ALDH1A1 (0.36) ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5322953-A Antiinflammatory agents; intermediates for 2-furanone compounds ALLERGAN, INC. (US) 1994-06-21 US disclosed
US-5298633-A Silane intermediates ALLERGAN, INC. (US) 1994-03-29 US disclosed
US-5171863-A 2-trialkylsily-4-substituted furan derivatives ALLERGAN, INC. (US) 1992-12-15 US disclosed
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
US-5082954-A Intermediates and processes for preparing 4-substituted 2-5(H)-furanones as anti-inflammatory agents ALLERGAN, INC. (US) 1992-01-21 US disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed