SCHEMBL9325149

SCHEMBL9325149

CCCCCCCCCCCCNC(=O)NCc1coc([Si](CC)(CC)CC)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 0.49
FES P07332 1/20 0.42
RET P07949 1/20 0.42
MARK3 P27448 1/20 0.42
TYK2 P29597 1/20 0.42
FLT4 P35916 1/20 0.42
SYK P43405 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
FAAH O00519 1/20 0.41
EPHX2 P34913 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL9581246 0.83 EPHX1 (0.42) EPHX1EPHX2TDP1ALDH1A1HTT
SCHEMBL9839348 0.82 HPGD (0.53) FAAH
SCHEMBL11034979 0.76 EPHX1 (0.68) EPHX1FESRETMARK3TYK2
SCHEMBL11035964 0.76 EPHX1 (0.68) EPHX1FESRETMARK3TYK2
SCHEMBL12980151 0.72 NAAA (0.61) EPHX1FESRETMARK3TYK2
SCHEMBL12980469 0.72 NAAA (0.61) EPHX1FESRETMARK3TYK2
SCHEMBL11035774 0.72 EPHX2 (0.69) EPHX1EPHX2ALDH1A1HTT
SCHEMBL11260446 0.72 EPHX2 (0.69) EPHX1EPHX2ALDH1A1HTT
SCHEMBL11360702 0.72 EPHX1 (0.61) EPHX1FESRETMARK3TYK2
SCHEMBL11366053 0.72 EPHX1 (0.61) EPHX1FESRETMARK3TYK2

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 8 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
EP-0525033-A4 4-(OXYGEN, SULFUR OR NITROGEN SUBSTITUTED)-METHYL 5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS 1993-03-10 EP disclosed
EP-0525033-A1 4-(OXYGEN, SULFUR OR NITROGEN SUBSTITUTED)-METHYL 5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS ALLERGAN, INC. (US) 1993-02-03 EP disclosed
US-5171863-A 2-trialkylsily-4-substituted furan derivatives ALLERGAN, INC. (US) 1992-12-15 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
WO-1991016047-A1 4-(OXYGEN, SULFUR OR NITROGEN SUBSTITUTED)-METHYL 5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS ALLERGAN, INC. (US) 1991-10-31 WO disclosed
US-5037811-A Antiboby inhibitors; antigrowth agents/biological/; antiarthritic agents ALLERGAN, INC. (US) 1991-08-06 US disclosed