SCHEMBL3094645

SCHEMBL3094645

CCOP(=O)(CN(C)[C@@H](CO)C(=O)O)OCC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.40
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 0.30
ACHE P22303 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
SCHEMBL3095342 0.80 CPB2 (0.33) PPARDTSHRMEN1GAACYP2C9
SCHEMBL3097950 0.79 GSR (0.37) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2983330 0.77 FOLH1 (0.31) TSHRMEN1KMT2ALMNATDP1
SCHEMBL2983327 0.77 FOLH1 (0.31) TSHRMEN1KMT2ALMNATDP1
SCHEMBL3101435 0.73 CA12 (0.35) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL3094164 0.72 MAPT (0.30) MAPTMAPK1
SCHEMBL10207203 0.72 OR51E2 (0.35) TDP1
SCHEMBL10207227 0.72 OR51E2 (0.35) TDP1
SCHEMBL3098743 0.70 FOLH1 (0.35) PPARDTSHRMEN1GAACYP2C9
SCHEMBL29750716 0.69 CHRM1 (0.34) TSHRMAPK1TDP1

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-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed