SCHEMBL26115124

SCHEMBL26115124

CCCCC(CC)(COP(O)O)C(O)(CCCC)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
ATM Q13315 2/20 0.33
KIF11 P52732 1/20 0.33
GAA P10253 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM3 P20309 2/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
HDAC1 Q13547 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 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
SCHEMBL28724614 0.84 MEN1 (0.39) KMT2AMEN1ATMKIF11GAA
SCHEMBL26115127 0.82 MEN1 (0.35) KMT2AMEN1ATMKIF11GAA
SCHEMBL30501704 0.74 GAA (0.38) KMT2AMEN1ATMGAASIGMAR1
SCHEMBL30987837 0.74 GAA (0.38) KMT2AMEN1ATMGAASIGMAR1
SCHEMBL29531191 0.72 GAA (0.34) KMT2AMEN1ATMGAASIGMAR1
SCHEMBL5474293 0.70 NR5A2 (0.32) ESR1ESR2
SCHEMBL28098188 0.69 MEN1 (0.41) KMT2AMEN1ATMGAASIGMAR1
SCHEMBL28108888 0.68 ASAH1 (0.34) KMT2AMEN1ALDH1A1
SCHEMBL18544243 0.67 KIF11 (0.38) KMT2AMEN1ATMKIF11GAA
SCHEMBL9304148 0.67 KIF11 (0.38) KMT2AMEN1KIF11GAASIGMAR1

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-2023196799-A2 PHOSPHITE-CONTAINING SORBENTS, SYSTEMS INCLUDING PHOSPHITE-CONTAINING SORBENTS, AND METHODS USING THE PHOSPHITE-CONTAINING SORBENTS GLOBAL THERMOSTAT OPERATIONS, LLC. (US) 2023-10-12 WO disclosed