SCHEMBL28213314

SCHEMBL28213314

CCCCCCCCCCCCCC(=O)CC(C[O])C(=O)CCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
PIK3R1 P27986 1/20 0.43
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
PIK3CA P42336 1/20 0.43
AKT3 Q9Y243 1/20 0.43
CES1 P23141 3/20 0.43
MEN1 O00255 1/20 0.43
FAAH O00519 1/20 0.43
MAPK1 P28482 1/20 0.43
HAO1 Q9UJM8 1/20 0.43

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
SCHEMBL2999181 0.87 CES2 (0.52) CES2KMT2AMAPTPIK3R1AKT1
SCHEMBL7797219 0.85 CES2 (0.50) CES2KMT2AMAPTPIK3R1AKT1
SCHEMBL9390983 0.85 CES2 (0.50) CES2KMT2AMAPTPIK3R1AKT1
SCHEMBL2993421 0.85 CES2 (0.50) CES2KMT2AMAPTPIK3R1AKT1
SCHEMBL932701 0.84 KMT2A (0.55) CES2KMT2AMAPTMEN1
SCHEMBL29283927 0.84 CES2 (0.48) CES2KMT2AMAPTPIK3R1AKT1
SCHEMBL999329 0.84 CES2 (0.48) CES2KMT2AMAPTPIK3R1AKT1
SCHEMBL29255787 0.84 CES2 (0.48) CES2KMT2AMAPTPIK3R1AKT1
SCHEMBL625634 0.81 MAPK1 (0.47) CES2KMT2AMAPTMEN1MAPK1
SCHEMBL933570 0.81 KMT2A (0.56) KMT2AMAPTMEN1

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
CN-109462995-A The method and composition of bioactivator 波涛生命科学有限公司 2019-03-12 CN disclosed
CN-108026527-A Defined multiconjugated oligonucleotides MPEG LA有限责任公司 2018-05-11 CN disclosed