SCHEMBL9326302

SCHEMBL9326302

CCCCCCCCCCCCC(C(=O)NC(C)c1ccccc1)c1coc([Si](C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MMP2 P08253 3/20 0.46
MMP3 P08254 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ASAH1 Q13510 1/20 0.44
ACER2 Q5QJU3 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
C5 P01031 1/20 0.40
TLR2 O60603 1/20 0.39
NAAA Q02083 2/20 0.39
GPR88 Q9GZN0 1/20 0.39
MAPT P10636 1/20 0.38
MME P08473 1/20 0.38
CTSK P43235 4/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL9326295 1.00 POLB (0.52) POLBMMP2MMP3MEN1KMT2A
SCHEMBL9745592 0.85 HDAC8 (0.45) MMP3MEN1KMT2AALDH1A1MAPT
SCHEMBL9670931 0.82 CTSK (0.45) POLBMMP2MMP3C5CTSK
SCHEMBL9670943 0.82 CTSK (0.45) POLBMMP2MMP3C5CTSK
SCHEMBL9326264 0.82 MMP2 (0.36) MMP2MMP3MMP1MMP9MMP14
SCHEMBL2698411 0.75 POLB (0.69) POLBMMP2MMP3MEN1KMT2A
SCHEMBL2698951 0.75 POLB (0.69) POLBMMP2MMP3MEN1KMT2A
SCHEMBL7303252 0.75 ALDH2 (0.37)
SCHEMBL8985038 0.73 SMN1; SMN2 (0.43) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL9325177 0.72 ALDH1A1 (0.39) ALDH1A1NAAA

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-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
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