SCHEMBL28029802

SCHEMBL28029802

CCOC(CCP(=O)(OC)OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
PPARD Q03181 2/20 0.41
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 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
SCHEMBL31503116 0.90 MEN1 (0.32) TSHRPPARDMEN1CYP1A2KMT2A
SCHEMBL5918893 0.90 PPARD (0.50) TSHRPPARDTP53TDP1MEN1
SCHEMBL5329595 0.78 PPARD (0.50) TSHRPPARDTP53TDP1MEN1
SCHEMBL508153 0.77 TSHR (0.50) TSHRPPARDTP53TDP1MEN1
SCHEMBL11217298 0.77 TSHR (0.33) TSHRMEN1CYP1A2KMT2A
SCHEMBL28927204 0.76 MEN1 (0.32) MEN1CYP1A2KMT2A
Water SCHEMBL6830152 0.76 PPARD (0.48) TSHRPPARDTP53TDP1
SCHEMBL9773402 0.76 TSHR (0.37) TSHRPPARDTP53TDP1MEN1
SCHEMBL575280 0.74 TSHR (0.52) TSHRPPARDTP53TDP1
SCHEMBL16352164 0.73 MEN1 (0.34) TSHRMEN1CYP1A2KMT2A

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-105001259-A Technology and equipment for continuously producing 3-(methyl hydroxyl phosphonyl) propionaldehyde HEBEI VEYONG BIO CHEM CO LTD 2015-10-28 CN disclosed