SCHEMBL11577243

SCHEMBL11577243

CCOP(=O)(CC(C)N(CC(C)O)CC(C)O)OCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
PPARD Q03181 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
UGT2B7 P16662 2/20 0.31
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11576481 0.80 CTSA (0.31)
SCHEMBL11576654 0.79 PPARD (0.47) TSHRPPARDMAPTMAPK1GAA
SCHEMBL6750640 0.78 TSHR (0.50) TSHRPPARDMAPTMAPK1GAA
SCHEMBL8463197 0.74 GAA (0.45) TSHRPPARDMAPTMAPK1GAA
SCHEMBL15317935 0.72 TSHR (0.48) TSHRPPARDMAPTMAPK1GAA
SCHEMBL15032899 0.72 TSHR (0.52) TSHRPPARDMAPTMAPK1GAA
SCHEMBL5429281 0.69 TSHR (0.37) TSHRPPARDGAAPOLBTP53
SCHEMBL9633264 0.69 TSHR (0.55) TSHRPPARDMAPTMAPK1GAA
SCHEMBL11576647 0.69 PPARD (0.44) TSHRPPARDMAPTMAPK1GAA
SCHEMBL6748637 0.67 HSD17B10 (0.41) TSHRPPARDMAPTMAPK1TDP1

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-4102830-A Diol-phosphonates as flame-retardants in polyurethane foam SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1978-07-25 US disclosed