SCHEMBL29233148

SCHEMBL29233148

CNC(CC(C)C)C(=O)N=C=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.33
CACNA1B Q00975 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
FOLH1 Q04609 2/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
LAP3 P28838 2/20 0.30
KISS1R Q969F8 3/20 0.30

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
SCHEMBL29233118 0.81 MMP3 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL29233083 0.79 BCHE (0.35) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL29233104 0.76 BCHE (0.45) ALDH1A1MEN1KMT2AMAPTMMP9
SCHEMBL21896010 0.76 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL29233090 0.75 BCHE (0.41) MMP9MMP8CTSSCTSKMMP3
SCHEMBL29233158 0.74 MMP8 (0.41) MMP9MMP8MMP3
SCHEMBL29233097 0.74 MMP8 (0.41) MMP9MMP8MMP3
SCHEMBL7741802 0.72 SLC7A5 (0.50) ALDH1A1LAP3
SCHEMBL14393166 0.72 ALDH1A1 (0.46) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL29233135 0.72 FOLH1 (0.37) MMP2MMP9FOLH1

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