SCHEMBL23933248

SCHEMBL23933248

CCNCC#CCNC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
FFAR3 O14843 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL671744 0.78 TP53 (0.54) MCL1CYP2C19TP53KMT2A
SCHEMBL14360071 0.74
SCHEMBL1694479 0.74
SCHEMBL30821432 0.73
SCHEMBL2748692 0.72
SCHEMBL21054616 0.72
SCHEMBL23933272 0.72
SCHEMBL4840321 0.72
SCHEMBL3629503 0.72
SCHEMBL29033931 0.72

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
WO-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed