SCHEMBL5568979

SCHEMBL5568979

CCOC(=O)Cc1cccc(C#N)c1CC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.47
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.42
KMT2A Q03164 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 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
SCHEMBL7219075 0.85 NLRP3 (0.55) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL23218359 0.84 NLRP3 (0.48) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL30676655 0.84 NLRP3 (0.48) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL29122112 0.81 NLRP3 (0.48) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL7790350 0.79 GABRA1 (0.41) ALDH1A1MAPTTSHR
SCHEMBL29853048 0.76 NLRP3 (0.44) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL23219226 0.76 NLRP3 (0.44) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL2135611 0.75 NLRP3 (0.43) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL2135834 0.75 CYP4F2 (0.50) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL16884620 0.75 GABRA1 (0.38) ALDH1A1MAPTCYP2C9KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169890-B2 Process for the production of ramoplanin-like amide derivatives VICURON PHARMACEUTICALS INC. (US) 2007-01-30 US disclosed
US-20050106691-A1 Process for the production of ramoplanin-like amide derivatives VICURON PHARMACEUTICALS INC. (US) 2005-05-19 US disclosed