SCHEMBL11222977

SCHEMBL11222977

O=C(O)CCC(C(=O)O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.38
LMNA P02545 4/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
FOLH1 Q04609 5/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM3 Q14832 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL28040704 0.85 LMNA (0.46) MEN1KMT2AALDH1A1LMNAFOLH1
SCHEMBL9639348 0.76 MEN1 (0.39) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL21611881 0.76 FDPS (0.50)
SCHEMBL11353091 0.76 GRM4 (0.43) MEN1KMT2AALDH1A1LMNAFOLH1
SCHEMBL9495952 0.76 MEN1 (0.39) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL2717818 0.75 GGPS1 (0.43) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL19043007 0.73 FDPS (0.52) LMNAALKBH5SUCNR1EGLN1FOLH1
SCHEMBL7111437 0.73 NAALAD2 (0.44) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL22514 0.71 ALDH1A1 (0.35) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL12473686 0.70 FDPS (0.37) MEN1KMT2AALDH1A1CYP1A2THRB

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
US-4320025-A Cavitation-inhibiting, nonfreezing, cooling and/or heat transfer fluids CHEMISCHE WERKE HUELS AKTIENGESELLSCHAFT (DE) 1982-03-16 US disclosed