SCHEMBL21501463

SCHEMBL21501463

CNC(=O)COCCOCCOCCOCCN

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
MCL1 Q07820 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1B1 Q16678 2/20 0.30
CYP1A1 P04798 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
SCHEMBL8520494 1.00 LMNA (0.31) LMNAMCL1POLBMEN1KMT2A
SCHEMBL15372562 1.00 LMNA (0.31) LMNAMCL1POLBMEN1KMT2A
SCHEMBL12797870 0.96
SCHEMBL22618173 0.89 MEN1 (0.40) MEN1KMT2A
SCHEMBL11514362 0.89 LMNA (0.37) LMNAMCL1POLBMEN1KMT2A
SCHEMBL24506675 0.83 CES2 (0.31) LMNAMCL1POLBMEN1KMT2A
SCHEMBL20801430 0.83 LMNA (0.40) LMNAMCL1POLBMEN1KMT2A
SCHEMBL17168484 0.83 CES2 (0.31) LMNAMCL1POLBMEN1KMT2A
SCHEMBL762258 0.83 LMNA (0.40) LMNAMCL1POLBMEN1KMT2A
SCHEMBL27262127 0.83 LMNA (0.40) LMNAMCL1POLBMEN1KMT2A

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-2019201123-A1 MULTIFUNCTIONAL COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACEUTICALS 四川科伦博泰生物医药股份有限公司 2019-10-24 WO disclosed