SCHEMBL28486983

SCHEMBL28486983

CCCCOC(=O)C(O)(C(O)(C(=O)OCCCC)P(=O)(O)O)P(=O)(O)O.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.42
FDPS P14324 9/20 0.41
GGPS1 O95749 7/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
CYP3A4 P08684 1/20 0.38
LPAR3 Q9UBY5 3/20 0.37
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 2/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL3360523 0.81 ALDH1A1 (0.45) ALDH1A1ATMFDPSGGPS1HPGD
SCHEMBL28498240 0.80 ALDH1A1 (0.39) ALDH1A1FDPS
SCHEMBL28492515 0.80 ALDH1A1 (0.39) ALDH1A1FDPS
SCHEMBL2240367 0.79 ALDH1A1 (0.47) ALDH1A1ATMFDPSGGPS1HPGD
SCHEMBL2237641 0.78 ALDH1A1 (0.45) ALDH1A1ATMFDPSGGPS1HPGD
SCHEMBL2238086 0.76 FDPS (0.44) ALDH1A1ATMFDPSGGPS1HPGD
SCHEMBL2238540 0.76 ALDH1A1 (0.44) ALDH1A1ATMFDPSGGPS1HPGD
SCHEMBL10878822 0.76 ALDH1A1 (0.44) ALDH1A1ATMFDPSGGPS1HPGD
SCHEMBL13839035 0.76 ALDH1A1 (0.56) ALDH1A1ATMHPGDTSHRHCAR2
SCHEMBL2242386 0.75 FDPS (0.43) ALDH1A1ATMFDPSGGPS1HPGD

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-112074276-A Inositol-based immunotherapy 诺姆奥克塞斯公司 2020-12-11 CN disclosed