SCHEMBL28860294

SCHEMBL28860294

CCCCCCCCCCCCC(=O)CCC(N)[N+](C)(C)CC(O)CS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
FFAR1 O14842 1/20 0.37
TP53 P04637 3/20 0.36
PSMD14 O00487 2/20 0.34
PLA2G1B P04054 2/20 0.34
MMP2 P08253 2/20 0.34
ATG4B Q9Y4P1 2/20 0.34
HSP90AA1 P07900 1/20 0.34
RAD52 P43351 1/20 0.34
SLC25A20 O43772 3/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL28221624 0.95 MAPT (0.37) MAPTKMT2AFFAR4FFAR1TP53
SCHEMBL28221046 0.80 PSMD14 (0.46) MAPTKMT2AFFAR4FFAR1PSMD14
Sulfuric Acid SCHEMBL29018984 0.79 TP53 (0.46) MAPTKMT2AFFAR4FFAR1TP53
SCHEMBL27138459 0.74 BBOX1 (0.39) MAPTKMT2AMEN1
SCHEMBL14784317 0.74 PSMD14 (0.37) MAPTKMT2AFFAR4FFAR1PSMD14
SCHEMBL2841245 0.74
SCHEMBL17583782 0.74 PSMD14 (0.44) KMT2AFFAR4FFAR1TP53PSMD14
SCHEMBL6236836 0.74 PSMD14 (0.43) FFAR4FFAR1TP53PSMD14PLA2G1B
SCHEMBL6236746 0.74 PSMD14 (0.43) FFAR4FFAR1TP53PSMD14PLA2G1B
SCHEMBL17583781 0.72 FAAH (0.44) KMT2AHSP90AA1MEN1FAAH

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-108026038-A AMPHOTERIC BETAINE COMPOUNDS 伊士曼化工公司 2018-05-11 CN disclosed