SCHEMBL21725375

SCHEMBL21725375

CCCCOCCN(CCO)CP(=O)(OCC)OCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.41
PPARD Q03181 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31

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
SCHEMBL14775348 0.84 CYP3A4 (0.45) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL530398 0.84 CYP2C9 (0.56) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL14790946 0.82 MEN1 (0.51) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL19979597 0.81 CYP3A4 (0.45) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL19979584 0.81 CYP2C9 (0.56) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL14782075 0.79 MEN1 (0.50) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL14782070 0.77 MEN1 (0.41) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL14852896 0.76 CYP2C9 (0.49) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL14790949 0.76 MEN1 (0.45) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL7453693 0.76 TSHR (0.56) MEN1KMT2ACYP2C9TSHRCYP3A4

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-10563146-B2 Preparation and use of aminoalkylphosphonic acid dilakyl ester compounds in a lubricant for antiwear, friction reduction, and/or micropitting prevention AFTON CHEMICAL CORPORATION (US) 2020-02-18 US disclosed