SCHEMBL8532180

SCHEMBL8532180

CCOC(=O)C(CC(C(=O)OCC)P(=O)(OCC)OCC)P(=O)(OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP2D6 P10635 1/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TP53 P04637 1/20 0.34
SOAT1 P35610 1/20 0.34

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
SCHEMBL6922463 0.90 GAA (0.40) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL10788776 0.90 POLB (0.37) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL30942674 0.89 POLB (0.36) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL1052265 0.88 POLB (0.40) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL1051880 0.84 POLB (0.53) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL14524858 0.84 POLB (0.38) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL9380986 0.82 POLB (0.41) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL9461450 0.82 ALDH1A1 (0.54) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL7216304 0.82 ALDH1A1 (0.43) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL10847001 0.82 POLB (0.41) POLBALDH1A1TSHRCYP3A4CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752999-B1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1998-10-28 EP disclosed
EP-0752999-A1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM Roche Diagnostics GmbH (DE) 1997-01-15 EP disclosed
WO-1995026358-A1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1995-10-05 WO disclosed
WO-1995011249-A1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1995-04-27 WO disclosed