SCHEMBL29233104

SCHEMBL29233104

CCCCNC(CC(C)C)C(=O)N=C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
PLA2G2A P14555 2/20 0.36
PLA2G5 P39877 2/20 0.36
PLA2G10 O15496 2/20 0.35
MMP8 P22894 1/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
EPHX1 P07099 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MMP3 P08254 3/20 0.32
MMP9 P14780 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
BIRC2 Q13490 2/20 0.31
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL29233090 0.95 BCHE (0.41) BCHEPLA2G2APLA2G5PLA2G10MMP8
SCHEMBL29233097 0.94 MMP8 (0.41) BCHEPLA2G2APLA2G5PLA2G10MMP8
SCHEMBL29233158 0.94 MMP8 (0.41) BCHEPLA2G2APLA2G5PLA2G10MMP8
SCHEMBL29233083 0.90 BCHE (0.35) BCHEPLA2G2APLA2G5CTSLCTSS
SCHEMBL29233118 0.83 MMP3 (0.39) PLA2G2APLA2G5CTSSCTSKALDH1A1
SCHEMBL29233074 0.78 SIRT6 (0.43) NOD1
SCHEMBL5078294 0.76 PLA2G2A (0.53) BCHEPLA2G2APLA2G5PLA2G10ALDH1A1
SCHEMBL3702684 0.76 PLA2G2A (0.53) BCHEPLA2G2APLA2G5PLA2G10ALDH1A1
SCHEMBL29233148 0.76 ALDH1A1 (0.37) MMP8CTSSCTSKALDH1A1MMP3
SCHEMBL29233106 0.76 PLA2G2A (0.47) BCHEPLA2G2APLA2G5PLA2G10CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed